[1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium

C160H203N19O15+2 — CID 157158454

IUPAC[1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium
SMILESCN(C)CCCN(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CN(C)CCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CN(CCCCCCCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)CCN1C(=O)c2ccccc2C1=O.C[N+](C)(C/C=C/CN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CC#CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C40H52N4O3.C36H42N4O4.C35H38N4O4.C26H38N4O2.C23H31N3O2/c1-42(29-30-44-37(45)35-23-15-16-24-36(35)38(44)46)26-17-7-5-3-2-4-6-8-18-27-43-28-25-34(31-43)40(39(41)47,32-19-11-9-12-20-32)33-21-13-10-14-22-33;1-40(2,27-13-11-23-39-34(41)31-17-6-7-18-32(31)35(39)42)26-12-10-22-38-24-20-29(21-25-38)44-36(43)37-33-19-9-8-16-30(33)28-14-4-3-5-15-28;1-39(2,26-12-22-38-33(40)30-16-6-7-17-31(30)34(38)41)25-11-10-21-37-23-19-28(20-24-37)43-35(42)36-32-18-9-8-15-29(32)27-13-4-3-5-14-27;1-28(2)16-9-17-29(3)20-21-30-18-14-23(15-19-30)32-26(31)27-25-13-8-7-12-24(25)22-10-5-4-6-11-22;1-25(2)15-8-16-26-17-13-20(14-18-26)28-23(27)24-22-12-7-6-11-21(22)19-9-4-3-5-10-19/h9-16,19-24,34H,2-8,17-18,25-31H2,1H3,(H2,41,47);3-10,12,14-19,29H,11,13,20-27H2,1-2H3;3-9,13-18,28H,12,19-26H2,1-2H3;4-8,10-13,23H,9,14-21H2,1-3H3,(H,27,31);3-7,9-12,20H,8,13-18H2,1-2H3,(H,24,27)/p+2/b;12-10+;;;
InChIKeyBPAVREAHWLSOLS-UKLMMHHFSA-P
MW2632.50 g/mol
LogP26.30
Rot. Bonds57

About [1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium

[1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium (PubChem CID 157158454) has the molecular formula C160H203N19O15+2 and a molecular weight of 2632.50 g/mol. Its IUPAC name is [1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium.

Molecular Properties

Compound Name[1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium
PubChem CID157158454
Molecular FormulaC160H203N19O15+2
Molecular Weight2632.50 g/mol
Exact Mass2630.57
IUPAC Name[1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium
SMILESCN(C)CCCN(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CN(C)CCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CN(CCCCCCCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)CCN1C(=O)c2ccccc2C1=O.C[N+](C)(C/C=C/CN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CC#CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C40H52N4O3.C36H42N4O4.C35H38N4O4.C26H38N4O2.C23H31N3O2/c1-42(29-30-44-37(45)35-23-15-16-24-36(35)38(44)46)26-17-7-5-3-2-4-6-8-18-27-43-28-25-34(31-43)40(39(41)47,32-19-11-9-12-20-32)33-21-13-10-14-22-33;1-40(2,27-13-11-23-39-34(41)31-17-6-7-18-32(31)35(39)42)26-12-10-22-38-24-20-29(21-25-38)44-36(43)37-33-19-9-8-16-30(33)28-14-4-3-5-15-28;1-39(2,26-12-22-38-33(40)30-16-6-7-17-31(30)34(38)41)25-11-10-21-37-23-19-28(20-24-37)43-35(42)36-32-18-9-8-15-29(32)27-13-4-3-5-14-27;1-28(2)16-9-17-29(3)20-21-30-18-14-23(15-19-30)32-26(31)27-25-13-8-7-12-24(25)22-10-5-4-6-11-22;1-25(2)15-8-16-26-17-13-20(14-18-26)28-23(27)24-22-12-7-6-11-21(22)19-9-4-3-5-10-19/h9-16,19-24,34H,2-8,17-18,25-31H2,1H3,(H2,41,47);3-10,12,14-19,29H,11,13,20-27H2,1-2H3;3-9,13-18,28H,12,19-26H2,1-2H3;4-8,10-13,23H,9,14-21H2,1-3H3,(H,27,31);3-7,9-12,20H,8,13-18H2,1-2H3,(H,24,27)/p+2/b;12-10+;;;
InChIKeyBPAVREAHWLSOLS-UKLMMHHFSA-P
XLogP26.30
TPSA337.71 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds57
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002632.50
LogP ≤ 526.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium?
The IUPAC name of [1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium (CID 157158454) is [1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium.
What is the SMILES notation for [1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium?
The canonical SMILES for [1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium is CN(C)CCCN(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CN(C)CCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.CN(CCCCCCCCCCCN1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1)CCN1C(=O)c2ccccc2C1=O.C[N+](C)(C/C=C/CN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CC#CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of [1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium?
The InChIKey is BPAVREAHWLSOLS-UKLMMHHFSA-P. The full InChI is InChI=1S/C40H52N4O3.C36H42N4O4.C35H38N4O4.C26H38N4O2.C23H31N3O2/c1-42(29-30-44-37(45)35-23-15-16-24-36(35)38(44)46)26-17-7-5-3-2-4-6-8-18-27-43-28-25-34(31-43)40(39(41)47,32-19-11-9-12-20-32)33-21-13-10-14-22-33;1-40(2,27-13-11-23-39-34(41)31-17-6-7-18-32(31)35(39)42)26-12-10-22-38-24-20-29(21-25-38)44-36(43)37-33-19-9-8-16-30(33)28-14-4-3-5-15-28;1-39(2,26-12-22-38-33(40)30-16-6-7-17-31(30)34(38)41)25-11-10-21-37-23-19-28(20-24-37)43-35(42)36-32-18-9-8-15-29(32)27-13-4-3-5-14-27;1-28(2)16-9-17-29(3)20-21-30-18-14-23(15-19-30)32-26(31)27-25-13-8-7-12-24(25)22-10-5-4-6-11-22;1-25(2)15-8-16-26-17-13-20(14-18-26)28-23(27)24-22-12-7-6-11-21(22)19-9-4-3-5-10-19/h9-16,19-24,34H,2-8,17-18,25-31H2,1H3,(H2,41,47);3-10,12,14-19,29H,11,13,20-27H2,1-2H3;3-9,13-18,28H,12,19-26H2,1-2H3;4-8,10-13,23H,9,14-21H2,1-3H3,(H,27,31);3-7,9-12,20H,8,13-18H2,1-2H3,(H,24,27)/p+2/b;12-10+;;;.
What are the key properties of [1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium?
[1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium has a molecular weight of 2632.50 g/mol, XLogP of 26.30, 57 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[3-(dimethylamino)propyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;[1-[3-(dimethylamino)propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[(E)-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-enyl]azanium;2-[1-[11-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]undecyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]but-2-ynyl]azanium is sourced from PubChem (CID 157158454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).