1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide

C25H29N5O — CID 126470752

IUPAC1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C1CCCN(c2nc3ccccc3n2C)C1
InChIInChI=1S/C25H29N5O/c1-17-19(20-9-3-4-10-21(20)27-17)13-14-26-24(31)18-8-7-15-30(16-18)25-28-22-11-5-6-12-23(22)29(25)2/h3-6,9-12,18,27H,7-8,13-16H2,1-2H3,(H,26,31)
InChIKeyWRQWOSCSYOHBPT-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.94
Rot. Bonds5

About 1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide

1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 126470752) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID126470752
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C1CCCN(c2nc3ccccc3n2C)C1
InChIInChI=1S/C25H29N5O/c1-17-19(20-9-3-4-10-21(20)27-17)13-14-26-24(31)18-8-7-15-30(16-18)25-28-22-11-5-6-12-23(22)29(25)2/h3-6,9-12,18,27H,7-8,13-16H2,1-2H3,(H,26,31)
InChIKeyWRQWOSCSYOHBPT-UHFFFAOYSA-N
XLogP3.94
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747
1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72926271
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384
(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51494599
N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46959580
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 93015076
1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 118776913
(3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 95808037
N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509
N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide (CID 126470752) is 1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)C1CCCN(c2nc3ccccc3n2C)C1.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is WRQWOSCSYOHBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-17-19(20-9-3-4-10-21(20)27-17)13-14-26-24(31)18-8-7-15-30(16-18)25-28-22-11-5-6-12-23(22)29(25)2/h3-6,9-12,18,27H,7-8,13-16H2,1-2H3,(H,26,31).
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 126470752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).