1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid

C17H21N3O3 — CID 167903187

IUPAC1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H21N3O3/c21-16(20-10-4-5-12(11-20)17(22)23)9-3-8-15-18-13-6-1-2-7-14(13)19-15/h1-2,6-7,12H,3-5,8-11H2,(H,18,19)(H,22,23)
InChIKeyCFKZNUPUHFAUBL-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.21
Rot. Bonds5

About 1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid

1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid (PubChem CID 167903187) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
PubChem CID167903187
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H21N3O3/c21-16(20-10-4-5-12(11-20)17(22)23)9-3-8-15-18-13-6-1-2-7-14(13)19-15/h1-2,6-7,12H,3-5,8-11H2,(H,18,19)(H,22,23)
InChIKeyCFKZNUPUHFAUBL-UHFFFAOYSA-N
XLogP2.21
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 46435051
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
CID 40512693
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465
1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide
CID 137316079
4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one
CID 46411383
(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 99584356
3-(1H-benzimidazol-2-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 42653271
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 92627755
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 125017351
1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide
CID 154738785

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid (CID 167903187) is 1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)CCCc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
The InChIKey is CFKZNUPUHFAUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16(20-10-4-5-12(11-20)17(22)23)9-3-8-15-18-13-6-1-2-7-14(13)19-15/h1-2,6-7,12H,3-5,8-11H2,(H,18,19)(H,22,23).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 167903187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).