(2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide

C16H18N4 — CID 21427143

IUPAC(2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide
SMILESN#C/N=C(\C(C#N)Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H18N4/c17-12-15(11-14-7-3-1-4-8-14)16(19-13-18)20-9-5-2-6-10-20/h1,3-4,7-8,15H,2,5-6,9-11H2/b19-16+
InChIKeyXPWOEROAYXDBKF-KNTRCKAVSA-N
MW266.35 g/mol
LogP2.73
Rot. Bonds3

About (2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide

(2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide (PubChem CID 21427143) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is (2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide.

Molecular Properties

Compound Name(2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide
PubChem CID21427143
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name(2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide
SMILESN#C/N=C(\C(C#N)Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H18N4/c17-12-15(11-14-7-3-1-4-8-14)16(19-13-18)20-9-5-2-6-10-20/h1,3-4,7-8,15H,2,5-6,9-11H2/b19-16+
InChIKeyXPWOEROAYXDBKF-KNTRCKAVSA-N
XLogP2.73
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.73
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'}

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Related Compounds

(2-cyano-4-methyl-5-phenyl-1-piperidin-1-ylpentylidene)cyanamide
CID 54236075
2-[(3-methylphenyl)methyl]-3-oxo-3-piperidin-1-ylpropanenitrile
CID 82120552
2-benzyl-3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropanenitrile
CID 63217774
2-benzyl-3-(2-ethylazepan-1-yl)-3-oxopropanenitrile
CID 104689801
2-[(4-methylphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 82117724
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
(2S)-2-cyano-3-phenylpropanoate
CID 6928308
1-(azepan-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107019625
2-benzyl-3-(3-methoxy-3-methylpiperidin-1-yl)-3-oxopropanenitrile
CID 107392547
2-(4-acetylpiperazin-1-yl)-3-phenylpropanenitrile
CID 82300086
2-benzyl-3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropanenitrile
CID 63979587
2-benzyl-3-(3-methoxypyrrolidin-1-yl)-3-oxopropanenitrile
CID 103533299

Frequently Asked Questions

What is the IUPAC name of (2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide?
The IUPAC name of (2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide (CID 21427143) is (2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide.
What is the SMILES notation for (2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide?
The canonical SMILES for (2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide is N#C/N=C(\C(C#N)Cc1ccccc1)N1CCCCC1.
What is the InChIKey of (2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide?
The InChIKey is XPWOEROAYXDBKF-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H18N4/c17-12-15(11-14-7-3-1-4-8-14)16(19-13-18)20-9-5-2-6-10-20/h1,3-4,7-8,15H,2,5-6,9-11H2/b19-16+.
What are the key properties of (2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide?
(2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide has a molecular weight of 266.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide is sourced from PubChem (CID 21427143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).