(2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide

C19H24N4 — CID 54236075

IUPAC(2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide
SMILESCC(Cc1ccccc1)CC(C#N)/C(=N\C#N)N1CCCCC1
InChIInChI=1S/C19H24N4/c1-16(12-17-8-4-2-5-9-17)13-18(14-20)19(22-15-21)23-10-6-3-7-11-23/h2,4-5,8-9,16,18H,3,6-7,10-13H2,1H3/b22-19+
InChIKeyQMQVHPMGBGCPEX-ZBJSNUHESA-N
MW308.43 g/mol
LogP3.76
Rot. Bonds5

About (2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide

(2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide (PubChem CID 54236075) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide.

Molecular Properties

Compound Name(2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide
PubChem CID54236075
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name(2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide
SMILESCC(Cc1ccccc1)CC(C#N)/C(=N\C#N)N1CCCCC1
InChIInChI=1S/C19H24N4/c1-16(12-17-8-4-2-5-9-17)13-18(14-20)19(22-15-21)23-10-6-3-7-11-23/h2,4-5,8-9,16,18H,3,6-7,10-13H2,1H3/b22-19+
InChIKeyQMQVHPMGBGCPEX-ZBJSNUHESA-N
XLogP3.76
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide 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

(2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide
CID 21427143
2-benzyl-3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropanenitrile
CID 63217774
2-[(3-methylphenyl)methyl]-3-oxo-3-piperidin-1-ylpropanenitrile
CID 82120552
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
2,2-dimethylpropane;ethane;[1-(methylcarbamoylamino)-2-phenylethyl]boronic acid;2-methyl-3-oxo-3-piperidin-1-ylpropanenitrile
CID 142596132
2-benzyl-3-(2-ethylazepan-1-yl)-3-oxopropanenitrile
CID 104689801
2-(4-acetylpiperazin-1-yl)-3-phenylpropanenitrile
CID 82300086
2-[(4-methylphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 82117724
(2S)-2-cyano-3-phenylpropanoate
CID 6928308
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
1-(azepan-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107019625
N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride
CID 11971660

Frequently Asked Questions

What is the IUPAC name of (2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide?
The IUPAC name of (2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide (CID 54236075) is (2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide.
What is the SMILES notation for (2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide?
The canonical SMILES for (2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide is CC(Cc1ccccc1)CC(C#N)/C(=N\C#N)N1CCCCC1.
What is the InChIKey of (2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide?
The InChIKey is QMQVHPMGBGCPEX-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H24N4/c1-16(12-17-8-4-2-5-9-17)13-18(14-20)19(22-15-21)23-10-6-3-7-11-23/h2,4-5,8-9,16,18H,3,6-7,10-13H2,1H3/b22-19+.
What are the key properties of (2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide?
(2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide has a molecular weight of 308.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide is sourced from PubChem (CID 54236075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).