N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

C26H37N3O3 — CID 17081813

IUPACN-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3)C2)CC1)C1CCCCC1
InChIInChI=1S/C26H37N3O3/c1-3-28(22-7-5-4-6-8-22)26(32)20-13-15-27(16-14-20)25(31)21-17-24(30)29(18-21)23-11-9-19(2)10-12-23/h9-12,20-22H,3-8,13-18H2,1-2H3
InChIKeyZSNVQSCLIGOJKA-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.77
Rot. Bonds5

About N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 17081813) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID17081813
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC NameN-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3)C2)CC1)C1CCCCC1
InChIInChI=1S/C26H37N3O3/c1-3-28(22-7-5-4-6-8-22)26(32)20-13-15-27(16-14-20)25(31)21-17-24(30)29(18-21)23-11-9-19(2)10-12-23/h9-12,20-22H,3-8,13-18H2,1-2H3
InChIKeyZSNVQSCLIGOJKA-UHFFFAOYSA-N
XLogP3.77
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 9375187
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-cyclohexyl-N-ethylpiperidine-4-carboxamide
CID 17118971
(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 9375191
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 17081750
2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid
CID 119178799
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
ethyl (3S)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 1241715
(3S)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136562
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
1-(4-methylphenyl)-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034008
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide
CID 9375058
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110023693

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 17081813) is N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is CCN(C(=O)C1CCN(C(=O)C2CC(=O)N(c3ccc(C)cc3)C2)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is ZSNVQSCLIGOJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-3-28(22-7-5-4-6-8-22)26(32)20-13-15-27(16-14-20)25(31)21-17-24(30)29(18-21)23-11-9-19(2)10-12-23/h9-12,20-22H,3-8,13-18H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 17081813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).