(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide

C20H30N4O — CID 93016402

IUPAC(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCCCn1c(N2CCC[C@H](C(=O)NC(C)C)C2)nc2ccccc21
InChIInChI=1S/C20H30N4O/c1-4-5-13-24-18-11-7-6-10-17(18)22-20(24)23-12-8-9-16(14-23)19(25)21-15(2)3/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3,(H,21,25)/t16-/m0/s1
InChIKeyHLWBRHKUVPXMIQ-INIZCTEOSA-N
MW342.49 g/mol
LogP3.58
Rot. Bonds6

About (3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide

(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 93016402) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID93016402
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCCCn1c(N2CCC[C@H](C(=O)NC(C)C)C2)nc2ccccc21
InChIInChI=1S/C20H30N4O/c1-4-5-13-24-18-11-7-6-10-17(18)22-20(24)23-12-8-9-16(14-23)19(25)21-15(2)3/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3,(H,21,25)/t16-/m0/s1
InChIKeyHLWBRHKUVPXMIQ-INIZCTEOSA-N
XLogP3.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46108681
(3S)-1-(1-butylbenzimidazol-2-yl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 93016409
(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93016426
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93015043
1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46108668
1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 42880667
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619
(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 93015076
1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42880141
N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide (CID 93016402) is (3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide is CCCCn1c(N2CCC[C@H](C(=O)NC(C)C)C2)nc2ccccc21.
What is the InChIKey of (3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is HLWBRHKUVPXMIQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N4O/c1-4-5-13-24-18-11-7-6-10-17(18)22-20(24)23-12-8-9-16(14-23)19(25)21-15(2)3/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3,(H,21,25)/t16-/m0/s1.
What are the key properties of (3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide?
(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 93016402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).