1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid

C18H24N2O3 — CID 122001822

IUPAC1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2CCCC2c2ccccc2)CC1
InChIInChI=1S/C18H24N2O3/c21-17(22)14-9-11-20(12-10-14)18(23)19-16-8-4-7-15(16)13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,19,23)(H,21,22)
InChIKeyGKWOEDOJUPNELL-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.83
Rot. Bonds3

About 1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid

1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122001822) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122001822
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2CCCC2c2ccccc2)CC1
InChIInChI=1S/C18H24N2O3/c21-17(22)14-9-11-20(12-10-14)18(23)19-16-8-4-7-15(16)13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,19,23)(H,21,22)
InChIKeyGKWOEDOJUPNELL-UHFFFAOYSA-N
XLogP2.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1R,2S)-2-phenylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012024
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122001829
2-[methyl-[1-[[(1R,2S)-2-phenylcyclopentyl]carbamoyl]azepan-4-yl]amino]acetic acid
CID 122012035
4-[(2-phenylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673133
4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001828
N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 156607968
N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015640
1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122016519
[(2S)-2-phenylcyclohexyl]urea
CID 141176309
1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016810

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid (CID 122001822) is 1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NC2CCCC2c2ccccc2)CC1.
What is the InChIKey of 1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is GKWOEDOJUPNELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(22)14-9-11-20(12-10-14)18(23)19-16-8-4-7-15(16)13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,19,23)(H,21,22).
What are the key properties of 1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122001822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).