N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

C18H25ClN2O2 — CID 113119565

IUPACN-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(C)CC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O2/c1-14-7-10-20(11-8-14)18(23)9-12-21(15(2)22)13-16-3-5-17(19)6-4-16/h3-6,14H,7-13H2,1-2H3
InChIKeyUVTVOMWQSICTAX-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.34
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113119565) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID113119565
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(C)CC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O2/c1-14-7-10-20(11-8-14)18(23)9-12-21(15(2)22)13-16-3-5-17(19)6-4-16/h3-6,14H,7-13H2,1-2H3
InChIKeyUVTVOMWQSICTAX-UHFFFAOYSA-N
XLogP3.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
N-[(4-methylphenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118795
N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113162333
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113121872
N-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127019
N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113163030
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 1030756
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-(2,4-dichlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146493

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 113119565) is N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCC(C)CC1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is UVTVOMWQSICTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-14-7-10-20(11-8-14)18(23)9-12-21(15(2)22)13-16-3-5-17(19)6-4-16/h3-6,14H,7-13H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 336.86 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113119565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).