N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

C16H19N3O2 — CID 108952404

IUPACN-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCCN(C(=O)CC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C16H19N3O2/c1-12-4-3-7-19(11-12)16(21)9-15(20)18-14-6-2-5-13(8-14)10-17/h2,5-6,8,12H,3-4,7,9,11H2,1H3,(H,18,20)
InChIKeyMUYRLDJHBVLBGJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.15
Rot. Bonds3

About N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108952404) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108952404
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCCN(C(=O)CC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C16H19N3O2/c1-12-4-3-7-19(11-12)16(21)9-15(20)18-14-6-2-5-13(8-14)10-17/h2,5-6,8,12H,3-4,7,9,11H2,1H3,(H,18,20)
InChIKeyMUYRLDJHBVLBGJ-UHFFFAOYSA-N
XLogP2.15
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide 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

3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
CID 108952355
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
N-(4-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952332
N-(3,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952396
N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952329
N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218300
N-(2,6-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952397
3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196414
2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(3-ethynylphenyl)acetamide
CID 111144522
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide
CID 115644362
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (CID 108952404) is N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is CC1CCCN(C(=O)CC(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is MUYRLDJHBVLBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-4-3-7-19(11-12)16(21)9-15(20)18-14-6-2-5-13(8-14)10-17/h2,5-6,8,12H,3-4,7,9,11H2,1H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 285.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108952404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).