N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide

C18H27N3O2 — CID 119321946

IUPACN-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C18H27N3O2/c1-12-5-6-14(20-17(23)18(2,3)4)11-15(12)21-16(22)13-7-9-19-10-8-13/h5-6,11,13,19H,7-10H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyNIHXQUMPYDSDNV-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.92
Rot. Bonds3

About N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide

N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide (PubChem CID 119321946) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide
PubChem CID119321946
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C18H27N3O2/c1-12-5-6-14(20-17(23)18(2,3)4)11-15(12)21-16(22)13-7-9-19-10-8-13/h5-6,11,13,19H,7-10H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyNIHXQUMPYDSDNV-UHFFFAOYSA-N
XLogP2.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[5-(2,2-dimethylpropanoylamino)-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

N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide
CID 119321965
4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide
CID 119780736
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
9-amino-N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989651
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-(5-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 110471858
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015790
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119725791
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421
4-[5-(2,2-dimethylpropanoylamino)-2-methylanilino]cyclohexane-1-carboxylic acid
CID 122029833
N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide
CID 118785519

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide?
The IUPAC name of N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide (CID 119321946) is N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C1CCNCC1.
What is the InChIKey of N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide?
The InChIKey is NIHXQUMPYDSDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-5-6-14(20-17(23)18(2,3)4)11-15(12)21-16(22)13-7-9-19-10-8-13/h5-6,11,13,19H,7-10H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide?
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119321946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).