N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide

C18H25ClN2O2 — CID 113127873

IUPACN-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCC(C)C1)c1ccc(Cl)cc1C
InChIInChI=1S/C18H25ClN2O2/c1-13-5-4-9-20(12-13)18(23)8-10-21(15(3)22)17-7-6-16(19)11-14(17)2/h6-7,11,13H,4-5,8-10,12H2,1-3H3
InChIKeyZPFXEHWUKKXJNU-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.65
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide

N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113127873) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID113127873
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCC(C)C1)c1ccc(Cl)cc1C
InChIInChI=1S/C18H25ClN2O2/c1-13-5-4-9-20(12-13)18(23)8-10-21(15(3)22)17-7-6-16(19)11-14(17)2/h6-7,11,13H,4-5,8-10,12H2,1-3H3
InChIKeyZPFXEHWUKKXJNU-UHFFFAOYSA-N
XLogP3.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113133995
N-(4-chloro-2-methoxy-5-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134457
N-(2-fluorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113126709
N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134401
N-(4-chloro-2-methylphenyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113127859
N-[3-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113130996
N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113131128
N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113127883
N-[(4-methylphenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118795
2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 154873747
N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113133960
4-(4-chlorophenyl)sulfanyl-1-(3-methylpiperidin-1-yl)butan-1-one
CID 112762882

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 113127873) is N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCCC(C)C1)c1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is ZPFXEHWUKKXJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-13-5-4-9-20(12-13)18(23)8-10-21(15(3)22)17-7-6-16(19)11-14(17)2/h6-7,11,13H,4-5,8-10,12H2,1-3H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 336.86 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113127873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).