1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide

C15H19ClN2O2 — CID 60948058

IUPAC1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-10-2-5-13(14(17)19)9-18(10)15(20)12-6-3-11(8-16)4-7-12/h3-4,6-7,10,13H,2,5,8-9H2,1H3,(H2,17,19)
InChIKeyPYOFNMSGNPEGGR-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.15
Rot. Bonds3

About 1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide

1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide (PubChem CID 60948058) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide
PubChem CID60948058
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-10-2-5-13(14(17)19)9-18(10)15(20)12-6-3-11(8-16)4-7-12/h3-4,6-7,10,13H,2,5,8-9H2,1H3,(H2,17,19)
InChIKeyPYOFNMSGNPEGGR-UHFFFAOYSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide 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-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide (CID 60948058) is 1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)c1ccc(CCl)cc1.
What is the InChIKey of 1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is PYOFNMSGNPEGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-2-5-13(14(17)19)9-18(10)15(20)12-6-3-11(8-16)4-7-12/h3-4,6-7,10,13H,2,5,8-9H2,1H3,(H2,17,19).
What are the key properties of 1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide?
1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 60948058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).