N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide

C18H27ClN2O — CID 112504356

IUPACN-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCC(c1ccc(Cl)cc1)N1CCC(C)CC1
InChIInChI=1S/C18H27ClN2O/c1-3-4-18(22)20-13-17(15-5-7-16(19)8-6-15)21-11-9-14(2)10-12-21/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,20,22)
InChIKeyGGTHTGYRPKHLET-UHFFFAOYSA-N
MW322.88 g/mol
LogP4.03
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide

N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide (PubChem CID 112504356) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
PubChem CID112504356
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCC(c1ccc(Cl)cc1)N1CCC(C)CC1
InChIInChI=1S/C18H27ClN2O/c1-3-4-18(22)20-13-17(15-5-7-16(19)8-6-15)21-11-9-14(2)10-12-21/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,20,22)
InChIKeyGGTHTGYRPKHLET-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide 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

N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 112504355
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate
CID 112504371
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine
CID 92967695
1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine
CID 92967683
1-[1-(4-chlorophenyl)propyl]-4-methylpiperidine;hydrochloride
CID 3056499
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
CID 92584194
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 112506556
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide (CID 112504356) is N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide is CCCC(=O)NCC(c1ccc(Cl)cc1)N1CCC(C)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide?
The InChIKey is GGTHTGYRPKHLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-3-4-18(22)20-13-17(15-5-7-16(19)8-6-15)21-11-9-14(2)10-12-21/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide?
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide has a molecular weight of 322.88 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide is sourced from PubChem (CID 112504356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).