2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide

C16H21N3O — CID 62404425

IUPAC2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
SMILESCCN1CCCC(NC(=O)Cc2ccc(C#N)cc2)C1
InChIInChI=1S/C16H21N3O/c1-2-19-9-3-4-15(12-19)18-16(20)10-13-5-7-14(11-17)8-6-13/h5-8,15H,2-4,9-10,12H2,1H3,(H,18,20)
InChIKeyPUAJQOJCPASPAK-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.70
Rot. Bonds4

About 2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide

2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide (PubChem CID 62404425) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
PubChem CID62404425
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
SMILESCCN1CCCC(NC(=O)Cc2ccc(C#N)cc2)C1
InChIInChI=1S/C16H21N3O/c1-2-19-9-3-4-15(12-19)18-16(20)10-13-5-7-14(11-17)8-6-13/h5-8,15H,2-4,9-10,12H2,1H3,(H,18,20)
InChIKeyPUAJQOJCPASPAK-UHFFFAOYSA-N
XLogP1.70
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide 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-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107025229
4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile
CID 104711681
2-(4-cyanophenyl)-N-(thian-3-yl)acetamide
CID 115674764
2-anilino-N-(1-ethylpiperidin-3-yl)acetamide
CID 61171381
2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 62877371
2-cyano-N-(1-ethylpiperidin-3-yl)propanamide
CID 55208553
N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172933961
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 51636347
methyl (3S)-3-[(4-cyanophenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 95637606
N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide
CID 54958550
1-cyano-N-(1-ethylpiperidin-3-yl)-3-methylcyclobutane-1-carboxamide
CID 80501614
2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide
CID 25206081

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide (CID 62404425) is 2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide is CCN1CCCC(NC(=O)Cc2ccc(C#N)cc2)C1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide?
The InChIKey is PUAJQOJCPASPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-19-9-3-4-15(12-19)18-16(20)10-13-5-7-14(11-17)8-6-13/h5-8,15H,2-4,9-10,12H2,1H3,(H,18,20).
What are the key properties of 2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide?
2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide is sourced from PubChem (CID 62404425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).