N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide

C17H23ClN2O2 — CID 131944274

IUPACN-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCc1c(Cl)cccc1CNC(=O)CCCN1CCCCC1=O
InChIInChI=1S/C17H23ClN2O2/c1-13-14(6-4-7-15(13)18)12-19-16(21)8-5-11-20-10-3-2-9-17(20)22/h4,6-7H,2-3,5,8-12H2,1H3,(H,19,21)
InChIKeyFSYGMDCUCHSNIR-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.06
Rot. Bonds6

About N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide

N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide (PubChem CID 131944274) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
PubChem CID131944274
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCc1c(Cl)cccc1CNC(=O)CCCN1CCCCC1=O
InChIInChI=1S/C17H23ClN2O2/c1-13-14(6-4-7-15(13)18)12-19-16(21)8-5-11-20-10-3-2-9-17(20)22/h4,6-7H,2-3,5,8-12H2,1H3,(H,19,21)
InChIKeyFSYGMDCUCHSNIR-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide 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 N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide (CID 131944274) is N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide is Cc1c(Cl)cccc1CNC(=O)CCCN1CCCCC1=O.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is FSYGMDCUCHSNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-13-14(6-4-7-15(13)18)12-19-16(21)8-5-11-20-10-3-2-9-17(20)22/h4,6-7H,2-3,5,8-12H2,1H3,(H,19,21).
What are the key properties of N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 322.84 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methylphenyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 131944274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).