N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide

C112H120N12O9 — CID 157285190

IUPACN-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide
SMILESC#Cn1c(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc2ccccc21.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2)CC1.COCCn1c(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc2ccccc21.Cc1ccc(Cn2c(C(=O)N3CCC(C(=O)N(C)Cc4ccccc4)CC3)cc3ccccc32)cc1
InChIInChI=1S/C31H33N3O2.C30H31N3O2.C26H31N3O3.C25H25N3O2/c1-23-12-14-25(15-13-23)22-34-28-11-7-6-10-27(28)20-29(34)31(36)33-18-16-26(17-19-33)30(35)32(2)21-24-8-4-3-5-9-24;1-31(21-23-10-4-2-5-11-23)29(34)25-16-18-32(19-17-25)30(35)28-20-26-14-8-9-15-27(26)33(28)22-24-12-6-3-7-13-24;1-27(19-20-8-4-3-5-9-20)25(30)21-12-14-28(15-13-21)26(31)24-18-22-10-6-7-11-23(22)29(24)16-17-32-2;1-3-28-22-12-8-7-11-21(22)17-23(28)25(30)27-15-13-20(14-16-27)24(29)26(2)18-19-9-5-4-6-10-19/h3-15,20,26H,16-19,21-22H2,1-2H3;2-15,20,25H,16-19,21-22H2,1H3;3-11,18,21H,12-17,19H2,1-2H3;1,4-12,17,20H,13-16,18H2,2H3
InChIKeyBADKNMCSVTYZFA-UHFFFAOYSA-N
MW1778.27 g/mol
LogP18.10
Rot. Bonds23

About N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide

N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide (PubChem CID 157285190) has the molecular formula C112H120N12O9 and a molecular weight of 1778.27 g/mol. Its IUPAC name is N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide
PubChem CID157285190
Molecular FormulaC112H120N12O9
Molecular Weight1778.27 g/mol
Exact Mass1776.93
IUPAC NameN-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide
SMILESC#Cn1c(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc2ccccc21.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2)CC1.COCCn1c(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc2ccccc21.Cc1ccc(Cn2c(C(=O)N3CCC(C(=O)N(C)Cc4ccccc4)CC3)cc3ccccc32)cc1
InChIInChI=1S/C31H33N3O2.C30H31N3O2.C26H31N3O3.C25H25N3O2/c1-23-12-14-25(15-13-23)22-34-28-11-7-6-10-27(28)20-29(34)31(36)33-18-16-26(17-19-33)30(35)32(2)21-24-8-4-3-5-9-24;1-31(21-23-10-4-2-5-11-23)29(34)25-16-18-32(19-17-25)30(35)28-20-26-14-8-9-15-27(26)33(28)22-24-12-6-3-7-13-24;1-27(19-20-8-4-3-5-9-20)25(30)21-12-14-28(15-13-21)26(31)24-18-22-10-6-7-11-23(22)29(24)16-17-32-2;1-3-28-22-12-8-7-11-21(22)17-23(28)25(30)27-15-13-20(14-16-27)24(29)26(2)18-19-9-5-4-6-10-19/h3-15,20,26H,16-19,21-22H2,1-2H3;2-15,20,25H,16-19,21-22H2,1H3;3-11,18,21H,12-17,19H2,1-2H3;1,4-12,17,20H,13-16,18H2,2H3
InChIKeyBADKNMCSVTYZFA-UHFFFAOYSA-N
XLogP18.10
TPSA191.43 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001778.27
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
CID 163426764
(3S)-1-(1-benzylindole-2-carbonyl)pyrrolidine-3-carboxamide
CID 94512799
[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
CID 138005082
[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(1-phenylethyl)piperidin-1-yl]methanone
CID 70799314
N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 66571403
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 29140119
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
N-benzyl-1-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693670
1-(3,5-dimethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55719859
ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate
CID 46491360

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide (CID 157285190) is N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide is C#Cn1c(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc2ccccc21.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2)CC1.COCCn1c(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc2ccccc21.Cc1ccc(Cn2c(C(=O)N3CCC(C(=O)N(C)Cc4ccccc4)CC3)cc3ccccc32)cc1.
What is the InChIKey of N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is BADKNMCSVTYZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O2.C30H31N3O2.C26H31N3O3.C25H25N3O2/c1-23-12-14-25(15-13-23)22-34-28-11-7-6-10-27(28)20-29(34)31(36)33-18-16-26(17-19-33)30(35)32(2)21-24-8-4-3-5-9-24;1-31(21-23-10-4-2-5-11-23)29(34)25-16-18-32(19-17-25)30(35)28-20-26-14-8-9-15-27(26)33(28)22-24-12-6-3-7-13-24;1-27(19-20-8-4-3-5-9-20)25(30)21-12-14-28(15-13-21)26(31)24-18-22-10-6-7-11-23(22)29(24)16-17-32-2;1-3-28-22-12-8-7-11-21(22)17-23(28)25(30)27-15-13-20(14-16-27)24(29)26(2)18-19-9-5-4-6-10-19/h3-15,20,26H,16-19,21-22H2,1-2H3;2-15,20,25H,16-19,21-22H2,1H3;3-11,18,21H,12-17,19H2,1-2H3;1,4-12,17,20H,13-16,18H2,2H3.
What are the key properties of N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide?
N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 1778.27 g/mol, XLogP of 18.10, 23 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 157285190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).