1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one

C16H23ClN2O — CID 60678397

IUPAC1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H23ClN2O/c1-12(16(20)13-4-6-14(17)7-5-13)19(3)15-8-10-18(2)11-9-15/h4-7,12,15H,8-11H2,1-3H3
InChIKeyLDVNFTPNHDUKGG-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.94
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one

1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one (PubChem CID 60678397) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
PubChem CID60678397
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H23ClN2O/c1-12(16(20)13-4-6-14(17)7-5-13)19(3)15-8-10-18(2)11-9-15/h4-7,12,15H,8-11H2,1-3H3
InChIKeyLDVNFTPNHDUKGG-UHFFFAOYSA-N
XLogP2.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one (CID 60678397) is 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one is CC(C(=O)c1ccc(Cl)cc1)N(C)C1CCN(C)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one?
The InChIKey is LDVNFTPNHDUKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(16(20)13-4-6-14(17)7-5-13)19(3)15-8-10-18(2)11-9-15/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one?
1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one has a molecular weight of 294.83 g/mol, XLogP of 2.94, 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-4-yl)amino]propan-1-one is sourced from PubChem (CID 60678397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).