2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid

C16H19N3O3 — CID 110095906

IUPAC2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
SMILESCc1nc2ccc(C(=O)N3CCCC(CC(=O)O)C3)cc2[nH]1
InChIInChI=1S/C16H19N3O3/c1-10-17-13-5-4-12(8-14(13)18-10)16(22)19-6-2-3-11(9-19)7-15(20)21/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,17,18)(H,20,21)
InChIKeyRNQFOFFHTCUVBV-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.20
Rot. Bonds3

About 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid

2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 110095906) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
PubChem CID110095906
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
SMILESCc1nc2ccc(C(=O)N3CCCC(CC(=O)O)C3)cc2[nH]1
InChIInChI=1S/C16H19N3O3/c1-10-17-13-5-4-12(8-14(13)18-10)16(22)19-6-2-3-11(9-19)7-15(20)21/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,17,18)(H,20,21)
InChIKeyRNQFOFFHTCUVBV-UHFFFAOYSA-N
XLogP2.20
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide
CID 125013984
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 110085800
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide
CID 124972323
N-[2-(3,4-dimethylphenoxy)ethyl]-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide
CID 124992275
(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125025602
1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 110089596
(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124996331
(2-methyl-3H-benzimidazol-5-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 127246184
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 45170167
(6R)-1-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124964373
(6S)-1-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124964374
[4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808603

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid (CID 110095906) is 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid is Cc1nc2ccc(C(=O)N3CCCC(CC(=O)O)C3)cc2[nH]1.
What is the InChIKey of 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is RNQFOFFHTCUVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-17-13-5-4-12(8-14(13)18-10)16(22)19-6-2-3-11(9-19)7-15(20)21/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 301.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 110095906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).