3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid

C9H13N3O2 — CID 90026172

IUPAC3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C9H13N3O2/c13-9(14)12-5-1-2-7(6-12)8-10-3-4-11-8/h3-4,7H,1-2,5-6H2,(H,10,11)(H,13,14)
InChIKeyQYQVRLSFWBXUQQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.27
Rot. Bonds1

About 3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid

3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid (PubChem CID 90026172) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
PubChem CID90026172
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C9H13N3O2/c13-9(14)12-5-1-2-7(6-12)8-10-3-4-11-8/h3-4,7H,1-2,5-6H2,(H,10,11)(H,13,14)
InChIKeyQYQVRLSFWBXUQQ-UHFFFAOYSA-N
XLogP1.27
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70754418
[3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120939716
6-cyclopropyl-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563424
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70718470
methyl 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]acetate
CID 97319118
2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70709077
[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 124505736
5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 70749547
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70735417
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
CID 95968867
3-(1H-imidazol-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-1-carboxamide
CID 75422963

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid (CID 90026172) is 3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid is O=C(O)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid?
The InChIKey is QYQVRLSFWBXUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(14)12-5-1-2-7(6-12)8-10-3-4-11-8/h3-4,7H,1-2,5-6H2,(H,10,11)(H,13,14).
What are the key properties of 3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid?
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 90026172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).