4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C17H26N4O3 — CID 122024367

IUPAC4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1n1ccnc1
InChIInChI=1S/C17H26N4O3/c1-12-6-8-20(10-15(12)21-9-7-18-11-21)17(24)19-14-4-2-13(3-5-14)16(22)23/h7,9,11-15H,2-6,8,10H2,1H3,(H,19,24)(H,22,23)
InChIKeyHXLIPKFYZJEORE-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.12
Rot. Bonds3

About 4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122024367) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122024367
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1n1ccnc1
InChIInChI=1S/C17H26N4O3/c1-12-6-8-20(10-15(12)21-9-7-18-11-21)17(24)19-14-4-2-13(3-5-14)16(22)23/h7,9,11-15H,2-6,8,10H2,1H3,(H,19,24)(H,22,23)
InChIKeyHXLIPKFYZJEORE-UHFFFAOYSA-N
XLogP2.12
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

(3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide
CID 125140956
(3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 124875203
(3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide
CID 124875381
5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124567981
4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024211
cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320203
methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate
CID 124615103
(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide
CID 97224827
6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054346
4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023327
(3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 124622207
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346

Frequently Asked Questions

What is the IUPAC name of 4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 122024367) is 4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCN(C(=O)NC2CCC(C(=O)O)CC2)CC1n1ccnc1.
What is the InChIKey of 4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HXLIPKFYZJEORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-6-8-20(10-15(12)21-9-7-18-11-21)17(24)19-14-4-2-13(3-5-14)16(22)23/h7,9,11-15H,2-6,8,10H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-imidazol-1-yl-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).