4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C20H24N4O — CID 108989085

IUPAC4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccn1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c25-20(22-17-19-10-4-5-11-21-19)24-15-13-23(14-16-24)12-6-9-18-7-2-1-3-8-18/h1-11H,12-17H2,(H,22,25)/b9-6+
InChIKeyCKHIEURWFFETSR-RMKNXTFCSA-N
MW336.44 g/mol
LogP2.62
Rot. Bonds5

About 4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide

4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 108989085) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID108989085
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccn1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c25-20(22-17-19-10-4-5-11-21-19)24-15-13-23(14-16-24)12-6-9-18-7-2-1-3-8-18/h1-11H,12-17H2,(H,22,25)/b9-6+
InChIKeyCKHIEURWFFETSR-RMKNXTFCSA-N
XLogP2.62
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 3805958
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 167970447
N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 113213243
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95150905
N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 53499414
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 108989085) is 4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccccn1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is CKHIEURWFFETSR-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(22-17-19-10-4-5-11-21-19)24-15-13-23(14-16-24)12-6-9-18-7-2-1-3-8-18/h1-11H,12-17H2,(H,22,25)/b9-6+.
What are the key properties of 4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108989085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).