1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide

C18H26N2O2 — CID 17224372

IUPAC1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H26N2O2/c1-13-7-5-6-8-15(13)19-16(21)14-9-11-20(12-10-14)17(22)18(2,3)4/h5-8,14H,9-12H2,1-4H3,(H,19,21)
InChIKeyKTRZXILFDSAREF-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.22
Rot. Bonds2

About 1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide (PubChem CID 17224372) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
PubChem CID17224372
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H26N2O2/c1-13-7-5-6-8-15(13)19-16(21)14-9-11-20(12-10-14)17(22)18(2,3)4/h5-8,14H,9-12H2,1-4H3,(H,19,21)
InChIKeyKTRZXILFDSAREF-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-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

1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385
1-(cyclohexanecarbonyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 113006064
4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113006099
N-(2-butoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55906919
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 86978864
1-(4-tert-butylphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide
CID 27167039
1-(2,2-dimethylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17224280
1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide (CID 17224372) is 1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide is Cc1ccccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide?
The InChIKey is KTRZXILFDSAREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-7-5-6-8-15(13)19-16(21)14-9-11-20(12-10-14)17(22)18(2,3)4/h5-8,14H,9-12H2,1-4H3,(H,19,21).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17224372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).