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

C24H31N3O — CID 113213243

IUPACN-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H31N3O/c1-24(2,22-13-7-4-8-14-22)20-25-23(28)27-18-16-26(17-19-27)15-9-12-21-10-5-3-6-11-21/h3-14H,15-20H2,1-2H3,(H,25,28)/b12-9+
InChIKeyCPDLGRPLDVOWLY-FMIVXFBMSA-N
MW377.53 g/mol
LogP4.00
Rot. Bonds6

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

N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (PubChem CID 113213243) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
PubChem CID113213243
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H31N3O/c1-24(2,22-13-7-4-8-14-22)20-25-23(28)27-18-16-26(17-19-27)15-9-12-21-10-5-3-6-11-21/h3-14H,15-20H2,1-2H3,(H,25,28)/b12-9+
InChIKeyCPDLGRPLDVOWLY-FMIVXFBMSA-N
XLogP4.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 3805958
N-tert-butyl-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108986110
N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990296
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989085
tert-butyl N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]carbamate
CID 51211032
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126442087
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide
CID 113214181
N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 112969792
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (CID 113213243) is N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is CC(C)(CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The InChIKey is CPDLGRPLDVOWLY-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H31N3O/c1-24(2,22-13-7-4-8-14-22)20-25-23(28)27-18-16-26(17-19-27)15-9-12-21-10-5-3-6-11-21/h3-14H,15-20H2,1-2H3,(H,25,28)/b12-9+.
What are the key properties of N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 113213243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).