N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide

C17H27N3O — CID 43607677

IUPACN-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide
SMILESCc1cccc(NC(=O)CCCN(C)C2CCNCC2)c1
InChIInChI=1S/C17H27N3O/c1-14-5-3-6-15(13-14)19-17(21)7-4-12-20(2)16-8-10-18-11-9-16/h3,5-6,13,16,18H,4,7-12H2,1-2H3,(H,19,21)
InChIKeyZWRGVEVHPVSZNG-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.40
Rot. Bonds6

About N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide

N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide (PubChem CID 43607677) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide
PubChem CID43607677
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide
SMILESCc1cccc(NC(=O)CCCN(C)C2CCNCC2)c1
InChIInChI=1S/C17H27N3O/c1-14-5-3-6-15(13-14)19-17(21)7-4-12-20(2)16-8-10-18-11-9-16/h3,5-6,13,16,18H,4,7-12H2,1-2H3,(H,19,21)
InChIKeyZWRGVEVHPVSZNG-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide 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-methylphenyl)-3-piperidin-4-yloxypropanamide
CID 63875437
N-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607437
N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride
CID 119444373
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
CID 113136334
N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
CID 54794464
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
N-(3-ethylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607180
2-[azepan-4-yl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 104979514
2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
CID 119912537
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide
CID 21333821

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide?
The IUPAC name of N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide (CID 43607677) is N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide.
What is the SMILES notation for N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide?
The canonical SMILES for N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide is Cc1cccc(NC(=O)CCCN(C)C2CCNCC2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide?
The InChIKey is ZWRGVEVHPVSZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-5-3-6-15(13-14)19-17(21)7-4-12-20(2)16-8-10-18-11-9-16/h3,5-6,13,16,18H,4,7-12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide?
N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide has a molecular weight of 289.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide is sourced from PubChem (CID 43607677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).