1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

C21H31N5O — CID 46358989

IUPAC1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)C1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H31N5O/c27-20(22-11-6-14-25-12-4-1-5-13-25)17-9-15-26(16-10-17)21-23-18-7-2-3-8-19(18)24-21/h2-3,7-8,17H,1,4-6,9-16H2,(H,22,27)(H,23,24)
InChIKeyVNKHOXYBSLGGQN-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.77
Rot. Bonds6

About 1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 46358989) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID46358989
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)C1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H31N5O/c27-20(22-11-6-14-25-12-4-1-5-13-25)17-9-15-26(16-10-17)21-23-18-7-2-3-8-19(18)24-21/h2-3,7-8,17H,1,4-6,9-16H2,(H,22,27)(H,23,24)
InChIKeyVNKHOXYBSLGGQN-UHFFFAOYSA-N
XLogP2.77
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-[3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
CID 92876483
1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide
CID 122176159
1-(1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 4130439
N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522852
N-(3-piperidin-1-ylpropyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771839
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 20886797
(3S)-1-(1H-benzimidazol-2-yl)-N-(3-cyclohexylsulfanylpropyl)piperidine-3-carboxamide
CID 92716100
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 46359001
1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 6620261

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide (CID 46358989) is 1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide is O=C(NCCCN1CCCCC1)C1CCN(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is VNKHOXYBSLGGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c27-20(22-11-6-14-25-12-4-1-5-13-25)17-9-15-26(16-10-17)21-23-18-7-2-3-8-19(18)24-21/h2-3,7-8,17H,1,4-6,9-16H2,(H,22,27)(H,23,24).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 46358989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).