4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid

C14H17N3O2 — CID 67434741

IUPAC4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H17N3O2/c18-14(19)17-7-5-10(6-8-17)9-13-15-11-3-1-2-4-12(11)16-13/h1-4,10H,5-9H2,(H,15,16)(H,18,19)
InChIKeyNFZQOHIIXJFUOP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.50
Rot. Bonds2

About 4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid

4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid (PubChem CID 67434741) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
PubChem CID67434741
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H17N3O2/c18-14(19)17-7-5-10(6-8-17)9-13-15-11-3-1-2-4-12(11)16-13/h1-4,10H,5-9H2,(H,15,16)(H,18,19)
InChIKeyNFZQOHIIXJFUOP-UHFFFAOYSA-N
XLogP2.50
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-[4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167744160
4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 18378994
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 128903538
2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide
CID 122155584
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 136548898
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
2-[(3R,4S)-3-(1H-benzimidazol-2-ylmethyl)-1-methylpiperidin-4-yl]acetic acid;hydrochloride
CID 172884192
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
2-(1H-benzimidazol-2-yl)-1-[(4S)-4-methylazepan-1-yl]ethanone
CID 126432563
2-(1H-benzimidazol-2-ylmethoxy)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72884913
2-[(3R,4S)-3-(1H-benzimidazol-2-ylmethyl)-1-(cyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 125418732

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid (CID 67434741) is 4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid?
The InChIKey is NFZQOHIIXJFUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14(19)17-7-5-10(6-8-17)9-13-15-11-3-1-2-4-12(11)16-13/h1-4,10H,5-9H2,(H,15,16)(H,18,19).
What are the key properties of 4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid?
4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67434741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).