1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

C12H18N4O3 — CID 65231437

IUPAC1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C12H18N4O3/c17-11(18)9-2-5-16(6-3-9)12(19)14-4-1-10-7-13-8-15-10/h7-9H,1-6H2,(H,13,15)(H,14,19)(H,17,18)
InChIKeyNKHRHFGSZTUSGI-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.46
Rot. Bonds4

About 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 65231437) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID65231437
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C12H18N4O3/c17-11(18)9-2-5-16(6-3-9)12(19)14-4-1-10-7-13-8-15-10/h7-9H,1-6H2,(H,13,15)(H,14,19)(H,17,18)
InChIKeyNKHRHFGSZTUSGI-UHFFFAOYSA-N
XLogP0.46
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 126446909
(2R)-1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 65231667
N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide
CID 119064340
2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
CID 65231671
N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64982967
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 80688595
1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106106000
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68665371
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 65231065
1-(2-chloroethylcarbamoyl)piperidine-4-carboxylic acid
CID 16769941
N-[2-(1H-imidazol-5-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600503

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 65231437) is 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCCc2cnc[nH]2)CC1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is NKHRHFGSZTUSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-11(18)9-2-5-16(6-3-9)12(19)14-4-1-10-7-13-8-15-10/h7-9H,1-6H2,(H,13,15)(H,14,19)(H,17,18).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 65231437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).