(2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide

C19H24F2N2O2 — CID 166322054

IUPAC(2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide
SMILESCC[C@@H]1C[C@H](C(=O)NC2(c3ccc(F)cc3F)CCCC2)CC(=O)N1
InChIInChI=1S/C19H24F2N2O2/c1-2-14-9-12(10-17(24)22-14)18(25)23-19(7-3-4-8-19)15-6-5-13(20)11-16(15)21/h5-6,11-12,14H,2-4,7-10H2,1H3,(H,22,24)(H,23,25)/t12-,14+/m0/s1
InChIKeyGLEHMQKQHUQCEO-GXTWGEPZSA-N
MW350.41 g/mol
LogP3.16
Rot. Bonds4

About (2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide

(2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide (PubChem CID 166322054) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is (2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide
PubChem CID166322054
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name(2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide
SMILESCC[C@@H]1C[C@H](C(=O)NC2(c3ccc(F)cc3F)CCCC2)CC(=O)N1
InChIInChI=1S/C19H24F2N2O2/c1-2-14-9-12(10-17(24)22-14)18(25)23-19(7-3-4-8-19)15-6-5-13(20)11-16(15)21/h5-6,11-12,14H,2-4,7-10H2,1H3,(H,22,24)(H,23,25)/t12-,14+/m0/s1
InChIKeyGLEHMQKQHUQCEO-GXTWGEPZSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-2-ethyl-N-[1-(4-methoxyphenyl)cyclopentyl]-6-oxopiperidine-4-carboxamide
CID 166303830
(7R)-N-[1-(2,4-difluorophenyl)cyclopentyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97248227
4-[[1-(2,4-difluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110481806
N-[1-(4-fluorophenyl)cyclobutyl]cyclopropanecarboxamide
CID 47408173
N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethoxy-1,3-oxazole-4-carboxamide
CID 139007664
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 75393613
N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 97083131
4-(aminomethyl)-N-[1-(2,4-difluorophenyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 136554323
N-[1-(2,4-difluorophenyl)cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 127701866
N-[1-(2-fluorophenyl)cyclopropyl]cyclohexanecarboxamide
CID 110482201
1-[1-(2,4-difluorophenyl)cyclobutyl]-3-[(2S)-oxan-2-yl]oxyurea
CID 99718676
5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120690311

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide?
The IUPAC name of (2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide (CID 166322054) is (2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide.
What is the SMILES notation for (2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide?
The canonical SMILES for (2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide is CC[C@@H]1C[C@H](C(=O)NC2(c3ccc(F)cc3F)CCCC2)CC(=O)N1.
What is the InChIKey of (2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide?
The InChIKey is GLEHMQKQHUQCEO-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-2-14-9-12(10-17(24)22-14)18(25)23-19(7-3-4-8-19)15-6-5-13(20)11-16(15)21/h5-6,11-12,14H,2-4,7-10H2,1H3,(H,22,24)(H,23,25)/t12-,14+/m0/s1.
What are the key properties of (2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide?
(2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide has a molecular weight of 350.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[1-(2,4-difluorophenyl)cyclopentyl]-2-ethyl-6-oxopiperidine-4-carboxamide is sourced from PubChem (CID 166322054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).