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

C17H25ClN2O — CID 112504355

IUPACN-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCC(c1ccc(Cl)cc1)N1CCC(C)CC1
InChIInChI=1S/C17H25ClN2O/c1-3-17(21)19-12-16(14-4-6-15(18)7-5-14)20-10-8-13(2)9-11-20/h4-7,13,16H,3,8-12H2,1-2H3,(H,19,21)
InChIKeyYXXJOLZOGDTMEJ-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.64
Rot. Bonds5

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

N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide (PubChem CID 112504355) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
PubChem CID112504355
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCC(c1ccc(Cl)cc1)N1CCC(C)CC1
InChIInChI=1S/C17H25ClN2O/c1-3-17(21)19-12-16(14-4-6-15(18)7-5-14)20-10-8-13(2)9-11-20/h4-7,13,16H,3,8-12H2,1-2H3,(H,19,21)
InChIKeyYXXJOLZOGDTMEJ-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 112504356
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate
CID 112504371
1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine
CID 92967683
1-[1-(4-chlorophenyl)propyl]-4-methylpiperidine;hydrochloride
CID 3056499
1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine
CID 92967695
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
5-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
CID 17016180
3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 53215582

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide (CID 112504355) is N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide is CCC(=O)NCC(c1ccc(Cl)cc1)N1CCC(C)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is YXXJOLZOGDTMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-17(21)19-12-16(14-4-6-15(18)7-5-14)20-10-8-13(2)9-11-20/h4-7,13,16H,3,8-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide?
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 308.85 g/mol, XLogP of 3.64, 5 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]propanamide is sourced from PubChem (CID 112504355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).