1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide

C23H34ClN3O2 — CID 24791565

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CCCCC1
InChIInChI=1S/C23H34ClN3O2/c1-26(2)23(13-4-3-5-14-23)17-25-22(29)19-8-11-21(28)27(16-19)15-12-18-6-9-20(24)10-7-18/h6-7,9-10,19H,3-5,8,11-17H2,1-2H3,(H,25,29)
InChIKeyMKMUMADTHAYQCG-UHFFFAOYSA-N
MW420.00 g/mol
LogP3.50
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791565) has the molecular formula C23H34ClN3O2 and a molecular weight of 420.00 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791565
Molecular FormulaC23H34ClN3O2
Molecular Weight420.00 g/mol
Exact Mass419.23
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CCCCC1
InChIInChI=1S/C23H34ClN3O2/c1-26(2)23(13-4-3-5-14-23)17-25-22(29)19-8-11-21(28)27(16-19)15-12-18-6-9-20(24)10-7-18/h6-7,9-10,19H,3-5,8,11-17H2,1-2H3,(H,25,29)
InChIKeyMKMUMADTHAYQCG-UHFFFAOYSA-N
XLogP3.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.00
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-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

(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
N-((1S)-3-(4-(2-(4-chlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590633
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 56680282
2-(4-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 2232369
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(2-methyl-piperidin-1-yl)-butan-1-one
CID 11359214
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 24758045
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 24758047
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylpropanamide
CID 24758171
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 24758173
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 24758294

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide (CID 24791565) is 1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide is CN(C)C1(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CCCCC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is MKMUMADTHAYQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN3O2/c1-26(2)23(13-4-3-5-14-23)17-25-22(29)19-8-11-21(28)27(16-19)15-12-18-6-9-20(24)10-7-18/h6-7,9-10,19H,3-5,8,11-17H2,1-2H3,(H,25,29).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 420.00 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).