N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide

C17H24N2O2 — CID 113006432

IUPACN-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H24N2O2/c1-4-16(20)19-9-7-14(8-10-19)17(21)18-15-6-5-12(2)13(3)11-15/h5-6,11,14H,4,7-10H2,1-3H3,(H,18,21)
InChIKeyAFPQROYGBFIGCL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.89
Rot. Bonds3

About N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide

N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide (PubChem CID 113006432) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
PubChem CID113006432
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H24N2O2/c1-4-16(20)19-9-7-14(8-10-19)17(21)18-15-6-5-12(2)13(3)11-15/h5-6,11,14H,4,7-10H2,1-3H3,(H,18,21)
InChIKeyAFPQROYGBFIGCL-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113007816
4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 109147715
1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007799
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
1-(3,4-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006649
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 16909824
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922996

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide (CID 113006432) is N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide is CCC(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide?
The InChIKey is AFPQROYGBFIGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-16(20)19-9-7-14(8-10-19)17(21)18-15-6-5-12(2)13(3)11-15/h5-6,11,14H,4,7-10H2,1-3H3,(H,18,21).
What are the key properties of N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide?
N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide is sourced from PubChem (CID 113006432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).