ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate

C21H30N2O3 — CID 60551232

IUPACethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C21H30N2O3/c1-2-26-20(24)18-12-14-23(15-13-18)21(25)22-19(17-10-6-7-11-17)16-8-4-3-5-9-16/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3,(H,22,25)
InChIKeyYAPOYPIGHYZUIA-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.90
Rot. Bonds5

About ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate

ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate (PubChem CID 60551232) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
PubChem CID60551232
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Nameethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C21H30N2O3/c1-2-26-20(24)18-12-14-23(15-13-18)21(25)22-19(17-10-6-7-11-17)16-8-4-3-5-9-16/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3,(H,22,25)
InChIKeyYAPOYPIGHYZUIA-UHFFFAOYSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118979
(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
CID 47016173
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
ethyl 1-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60547795
ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 60547124
ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate
CID 57012477
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid
CID 122006228
ethyl 1-[(2-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108871379

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate (CID 60551232) is ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NC(c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate?
The InChIKey is YAPOYPIGHYZUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-26-20(24)18-12-14-23(15-13-18)21(25)22-19(17-10-6-7-11-17)16-8-4-3-5-9-16/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3,(H,22,25).
What are the key properties of ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate?
ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate has a molecular weight of 358.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 60551232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).