3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide

C18H27N3O2 — CID 119944132

IUPAC3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C18H27N3O2/c1-13(2)16(22)21-15-7-5-14(6-8-15)11-20-17(23)18(3)9-4-10-19-12-18/h5-8,13,19H,4,9-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyVTKXIWZCWMWZEM-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.29
Rot. Bonds5

About 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide

3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119944132) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide
PubChem CID119944132
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C18H27N3O2/c1-13(2)16(22)21-15-7-5-14(6-8-15)11-20-17(23)18(3)9-4-10-19-12-18/h5-8,13,19H,4,9-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyVTKXIWZCWMWZEM-UHFFFAOYSA-N
XLogP2.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-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

Related Compounds

N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
3-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 63130315
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119944291
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide (CID 119944132) is 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide is CC(C)C(=O)Nc1ccc(CNC(=O)C2(C)CCCNC2)cc1.
What is the InChIKey of 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is VTKXIWZCWMWZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)16(22)21-15-7-5-14(6-8-15)11-20-17(23)18(3)9-4-10-19-12-18/h5-8,13,19H,4,9-12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide?
3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119944132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).