3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide

C18H27N3O2 — CID 119462114

IUPAC3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C18H27N3O2/c1-14-4-6-15(7-5-14)8-9-17(22)21-13-18(23)20-12-16-3-2-10-19-11-16/h4-7,16,19H,2-3,8-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyNUFJGSCFQMXJBY-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.16
Rot. Bonds7

About 3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide

3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide (PubChem CID 119462114) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
PubChem CID119462114
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C18H27N3O2/c1-14-4-6-15(7-5-14)8-9-17(22)21-13-18(23)20-12-16-3-2-10-19-11-16/h4-7,16,19H,2-3,8-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyNUFJGSCFQMXJBY-UHFFFAOYSA-N
XLogP1.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide 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

4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462344
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)propanamide
CID 119459738
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 91660400
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
N-(cyclohexylmethyl)-4-(4-methylphenyl)butanamide
CID 55771489
3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide
CID 120575814
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 86813740
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462971
2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
CID 119461967

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide (CID 119462114) is 3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide is Cc1ccc(CCC(=O)NCC(=O)NCC2CCCNC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide?
The InChIKey is NUFJGSCFQMXJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-4-6-15(7-5-14)8-9-17(22)21-13-18(23)20-12-16-3-2-10-19-11-16/h4-7,16,19H,2-3,8-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide?
3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide is sourced from PubChem (CID 119462114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).