N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide

C22H27N3O — CID 3805958

IUPACN-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O/c1-19-9-11-21(12-10-19)18-23-22(26)25-16-14-24(15-17-25)13-5-8-20-6-3-2-4-7-20/h2-12H,13-18H2,1H3,(H,23,26)
InChIKeyQRAPUDTYNFJCAQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.54
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide

N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide (PubChem CID 3805958) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
PubChem CID3805958
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O/c1-19-9-11-21(12-10-19)18-23-22(26)25-16-14-24(15-17-25)13-5-8-20-6-3-2-4-7-20/h2-12H,13-18H2,1H3,(H,23,26)
InChIKeyQRAPUDTYNFJCAQ-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108984831
2-(4-methylphenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994575
4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 55771645
4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989085
N-[(3-methylphenyl)methyl]-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108945570
N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 113213243
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126442087
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 167970447
N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 112969792
N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990296
N,N-dimethyl-4-[[[N-methyl-C-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111218626
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide (CID 3805958) is N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide is Cc1ccc(CNC(=O)N2CCN(CC=Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
The InChIKey is QRAPUDTYNFJCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-19-9-11-21(12-10-19)18-23-22(26)25-16-14-24(15-17-25)13-5-8-20-6-3-2-4-7-20/h2-12H,13-18H2,1H3,(H,23,26).
What are the key properties of N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide?
N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide is sourced from PubChem (CID 3805958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).