1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone

C15H21ClN2O — CID 62547145

IUPAC1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
SMILESCN1CCCC(N(C)CC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O/c1-17-9-3-4-14(10-17)18(2)11-15(19)12-5-7-13(16)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyBKSAKECKZXQGDD-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.55
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone

1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone (PubChem CID 62547145) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
PubChem CID62547145
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
SMILESCN1CCCC(N(C)CC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O/c1-17-9-3-4-14(10-17)18(2)11-15(19)12-5-7-13(16)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyBKSAKECKZXQGDD-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547508
1-(4-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 55170472
1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547329
N-(2-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547439
2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795211
4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide
CID 107458463
N-(4-aminophenyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545498
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
N-(3-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547619
N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79583035
4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546983

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone (CID 62547145) is 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone is CN1CCCC(N(C)CC(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone?
The InChIKey is BKSAKECKZXQGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-17-9-3-4-14(10-17)18(2)11-15(19)12-5-7-13(16)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone?
1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone has a molecular weight of 280.80 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone is sourced from PubChem (CID 62547145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).