[1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C147H189N15O14+2 — CID 158559239

IUPAC[1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCN(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCN1C(=O)c2ccccc2C1=O)[C@H]1CCCC[C@@H]1N1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)CC1
InChIInChI=1S/C48H62N4O4.C41H54N4O4.C36H42N4O4.C22H29N3O2/c53-47(49-45-27-17-15-25-43(45)39-21-11-9-12-22-39)55-41-29-35-51(36-30-41)33-19-7-5-3-1-2-4-6-8-20-34-52-37-31-42(32-38-52)56-48(54)50-46-28-18-16-26-44(46)40-23-13-10-14-24-40;1-45(2,32-18-28-44-39(46)36-22-12-13-23-37(36)40(44)47)31-17-8-6-4-3-5-7-16-27-43-29-25-34(26-30-43)49-41(48)42-38-24-15-14-21-35(38)33-19-10-9-11-20-33;1-40(2,25-24-39-34(41)29-15-6-7-16-30(29)35(39)42)33-19-11-10-18-32(33)38-22-20-27(21-23-38)44-36(43)37-31-17-9-8-14-28(31)26-12-4-3-5-13-26;1-24(2)16-17-25-14-12-19(13-15-25)27-22(26)23-21-11-7-6-10-20(21)18-8-4-3-5-9-18/h9-18,21-28,41-42H,1-8,19-20,29-38H2,(H,49,53)(H,50,54);9-15,19-24,34H,3-8,16-18,25-32H2,1-2H3;3-9,12-17,27,32-33H,10-11,18-25H2,1-2H3;3-11,19H,12-17H2,1-2H3,(H,23,26)/p+2/t;;32-,33-;/m..0./s1
InChIKeyHQRFODZTFDLKBK-ORRCFLNYSA-P
MW2390.22 g/mol
LogP29.88
Rot. Bonds51

About [1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 158559239) has the molecular formula C147H189N15O14+2 and a molecular weight of 2390.22 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID158559239
Molecular FormulaC147H189N15O14+2
Molecular Weight2390.22 g/mol
Exact Mass2388.45
IUPAC Name[1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESCN(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCN1C(=O)c2ccccc2C1=O)[C@H]1CCCC[C@@H]1N1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)CC1
InChIInChI=1S/C48H62N4O4.C41H54N4O4.C36H42N4O4.C22H29N3O2/c53-47(49-45-27-17-15-25-43(45)39-21-11-9-12-22-39)55-41-29-35-51(36-30-41)33-19-7-5-3-1-2-4-6-8-20-34-52-37-31-42(32-38-52)56-48(54)50-46-28-18-16-26-44(46)40-23-13-10-14-24-40;1-45(2,32-18-28-44-39(46)36-22-12-13-23-37(36)40(44)47)31-17-8-6-4-3-5-7-16-27-43-29-25-34(26-30-43)49-41(48)42-38-24-15-14-21-35(38)33-19-10-9-11-20-33;1-40(2,25-24-39-34(41)29-15-6-7-16-30(29)35(39)42)33-19-11-10-18-32(33)38-22-20-27(21-23-38)44-36(43)37-31-17-9-8-14-28(31)26-12-4-3-5-13-26;1-24(2)16-17-25-14-12-19(13-15-25)27-22(26)23-21-11-7-6-10-20(21)18-8-4-3-5-9-18/h9-18,21-28,41-42H,1-8,19-20,29-38H2,(H,49,53)(H,50,54);9-15,19-24,34H,3-8,16-18,25-32H2,1-2H3;3-9,12-17,27,32-33H,10-11,18-25H2,1-2H3;3-11,19H,12-17H2,1-2H3,(H,23,26)/p+2/t;;32-,33-;/m..0./s1
InChIKeyHQRFODZTFDLKBK-ORRCFLNYSA-P
XLogP29.88
TPSA285.85 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds51
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002390.22
LogP ≤ 529.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze [1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 158559239) is [1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CN(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.C[N+](C)(CCCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)CCCN1C(=O)c2ccccc2C1=O.C[N+](C)(CCN1C(=O)c2ccccc2C1=O)[C@H]1CCCC[C@@H]1N1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)CC1.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is HQRFODZTFDLKBK-ORRCFLNYSA-P. The full InChI is InChI=1S/C48H62N4O4.C41H54N4O4.C36H42N4O4.C22H29N3O2/c53-47(49-45-27-17-15-25-43(45)39-21-11-9-12-22-39)55-41-29-35-51(36-30-41)33-19-7-5-3-1-2-4-6-8-20-34-52-37-31-42(32-38-52)56-48(54)50-46-28-18-16-26-44(46)40-23-13-10-14-24-40;1-45(2,32-18-28-44-39(46)36-22-12-13-23-37(36)40(44)47)31-17-8-6-4-3-5-7-16-27-43-29-25-34(26-30-43)49-41(48)42-38-24-15-14-21-35(38)33-19-10-9-11-20-33;1-40(2,25-24-39-34(41)29-15-6-7-16-30(29)35(39)42)33-19-11-10-18-32(33)38-22-20-27(21-23-38)44-36(43)37-31-17-9-8-14-28(31)26-12-4-3-5-13-26;1-24(2)16-17-25-14-12-19(13-15-25)27-22(26)23-21-11-7-6-10-20(21)18-8-4-3-5-9-18/h9-18,21-28,41-42H,1-8,19-20,29-38H2,(H,49,53)(H,50,54);9-15,19-24,34H,3-8,16-18,25-32H2,1-2H3;3-9,12-17,27,32-33H,10-11,18-25H2,1-2H3;3-11,19H,12-17H2,1-2H3,(H,23,26)/p+2/t;;32-,33-;/m..0./s1.
What are the key properties of [1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 2390.22 g/mol, XLogP of 29.88, 51 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate;2-(1,3-dioxoisoindol-2-yl)ethyl-dimethyl-[(1S,2S)-2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]cyclohexyl]azanium;3-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[10-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]decyl]azanium;[1-[12-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]dodecyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 158559239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).