4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid

C18H22N4O3 — CID 56884519

IUPAC4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(NCCc1ccccc1)N1CCC(C(=O)O)(n2ccnc2)CC1
InChIInChI=1S/C18H22N4O3/c23-16(24)18(22-13-10-19-14-22)7-11-21(12-8-18)17(25)20-9-6-15-4-2-1-3-5-15/h1-5,10,13-14H,6-9,11-12H2,(H,20,25)(H,23,24)
InChIKeyNFUZPAQCQUIZOV-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.71
Rot. Bonds5

About 4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid

4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 56884519) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID56884519
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(NCCc1ccccc1)N1CCC(C(=O)O)(n2ccnc2)CC1
InChIInChI=1S/C18H22N4O3/c23-16(24)18(22-13-10-19-14-22)7-11-21(12-8-18)17(25)20-9-6-15-4-2-1-3-5-15/h1-5,10,13-14H,6-9,11-12H2,(H,20,25)(H,23,24)
InChIKeyNFUZPAQCQUIZOV-UHFFFAOYSA-N
XLogP1.71
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 155872596
4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155871135
N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258758
4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90493869
4-hydroxy-4-(imidazol-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 119063880
1-imidazol-1-ylcyclooctane-1-carboxylic acid
CID 82235123
(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97148975
N-(2-phenylethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119074881
(4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207799
1-[(3-chloro-5-fluorophenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56894489
4-[2-[(4,4-difluoropiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 166240238
4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 63123409

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid (CID 56884519) is 4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid is O=C(NCCc1ccccc1)N1CCC(C(=O)O)(n2ccnc2)CC1.
What is the InChIKey of 4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is NFUZPAQCQUIZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-16(24)18(22-13-10-19-14-22)7-11-21(12-8-18)17(25)20-9-6-15-4-2-1-3-5-15/h1-5,10,13-14H,6-9,11-12H2,(H,20,25)(H,23,24).
What are the key properties of 4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid?
4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56884519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).