1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid

C20H28N2O3 — CID 122010655

IUPAC1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCCC(C(=O)O)C1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H28N2O3/c1-15(20(11-5-6-12-20)17-9-3-2-4-10-17)21-19(25)22-13-7-8-16(14-22)18(23)24/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H,21,25)(H,23,24)
InChIKeyFFMWTIMEEFVQAU-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.39
Rot. Bonds4

About 1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid

1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122010655) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122010655
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCCC(C(=O)O)C1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H28N2O3/c1-15(20(11-5-6-12-20)17-9-3-2-4-10-17)21-19(25)22-13-7-8-16(14-22)18(23)24/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H,21,25)(H,23,24)
InChIKeyFFMWTIMEEFVQAU-UHFFFAOYSA-N
XLogP3.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122003412
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508
(3R)-1-(but-3-yn-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104921713
(3S)-1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104591978
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104861496
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid
CID 119167769

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 122010655) is 1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid is CC(NC(=O)N1CCCC(C(=O)O)C1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FFMWTIMEEFVQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(20(11-5-6-12-20)17-9-3-2-4-10-17)21-19(25)22-13-7-8-16(14-22)18(23)24/h2-4,9-10,15-16H,5-8,11-14H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid?
1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 344.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-phenylcyclopentyl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122010655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).