1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid

C19H26N2O3 — CID 122002970

IUPAC1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCCC2Cc2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c22-18(23)16-9-5-11-21(13-16)19(24)20-17-10-4-8-15(17)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,24)(H,22,23)
InChIKeyUUXRGJGDMQFSIK-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.90
Rot. Bonds4

About 1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid

1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122002970) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122002970
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC2CCCC2Cc2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c22-18(23)16-9-5-11-21(13-16)19(24)20-17-10-4-8-15(17)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,24)(H,22,23)
InChIKeyUUXRGJGDMQFSIK-UHFFFAOYSA-N
XLogP2.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-phenylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122001829
(3S,4S)-1-[(2-benzylcyclopentyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122002975
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
1-(2-benzylsulfinylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122002690
1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015640
1-(2-benzylbenzoyl)piperidine-3-carboxylic acid
CID 45429245
1-(2-phenylmethoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 122004851
1-[(1-benzyl-3,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122013572
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-[(3-ethoxy-2-phenoxycyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122010748
N-(2-benzylcyclohexyl)-2,2-difluoroacetamide
CID 167792579

Frequently Asked Questions

What is the IUPAC name of 1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid (CID 122002970) is 1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NC2CCCC2Cc2ccccc2)C1.
What is the InChIKey of 1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is UUXRGJGDMQFSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(23)16-9-5-11-21(13-16)19(24)20-17-10-4-8-15(17)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,24)(H,22,23).
What are the key properties of 1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-benzylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122002970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).