1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide

C24H35N3O2 — CID 110605730

IUPAC1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCCC1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C24H35N3O2/c28-23-16-20(18-27(23)21-12-6-2-7-13-21)24(29)25-17-22(19-10-4-1-5-11-19)26-14-8-3-9-15-26/h1,4-5,10-11,20-22H,2-3,6-9,12-18H2,(H,25,29)
InChIKeyWRSVOJBEYOPUDT-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.51
Rot. Bonds6

About 1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide

1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 110605730) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID110605730
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCCC1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C24H35N3O2/c28-23-16-20(18-27(23)21-12-6-2-7-13-21)24(29)25-17-22(19-10-4-1-5-11-19)26-14-8-3-9-15-26/h1,4-5,10-11,20-22H,2-3,6-9,12-18H2,(H,25,29)
InChIKeyWRSVOJBEYOPUDT-UHFFFAOYSA-N
XLogP3.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 17257415
5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 112826837
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167044
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119136689
1-cyclopentyl-N-(2-hydroxy-1-phenylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110931202
(3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 99774273
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
1-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78866844
1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110357434
5-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578254

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide (CID 110605730) is 1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is O=C(NCC(c1ccccc1)N1CCCCC1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is WRSVOJBEYOPUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c28-23-16-20(18-27(23)21-12-6-2-7-13-21)24(29)25-17-22(19-10-4-1-5-11-19)26-14-8-3-9-15-26/h1,4-5,10-11,20-22H,2-3,6-9,12-18H2,(H,25,29).
What are the key properties of 1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide?
1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110605730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).