N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide

C17H22Cl2N2O2 — CID 113133995

IUPACN-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCC(C)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H22Cl2N2O2/c1-12-4-3-8-20(11-12)17(23)7-9-21(13(2)22)16-10-14(18)5-6-15(16)19/h5-6,10,12H,3-4,7-9,11H2,1-2H3
InChIKeyPAIUIWYDBBFPQA-UHFFFAOYSA-N
MW357.28 g/mol
LogP3.99
Rot. Bonds4

About N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide

N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113133995) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID113133995
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC NameN-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCC(C)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H22Cl2N2O2/c1-12-4-3-8-20(11-12)17(23)7-9-21(13(2)22)16-10-14(18)5-6-15(16)19/h5-6,10,12H,3-4,7-9,11H2,1-2H3
InChIKeyPAIUIWYDBBFPQA-UHFFFAOYSA-N
XLogP3.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127873
N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113133960
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-methoxy-5-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134457
N-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127019
N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113131128
N-[3-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113130996
2,5-dichloro-N-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 8008277
2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 154873747
N-[(4-methylphenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118795
6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 41075219

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 113133995) is N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCCC(C)C1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is PAIUIWYDBBFPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-12-4-3-8-20(11-12)17(23)7-9-21(13(2)22)16-10-14(18)5-6-15(16)19/h5-6,10,12H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 357.28 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113133995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).