N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

C22H27N3O — CID 6470613

IUPACN-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O/c1-18-15-19(2)17-21(16-18)23-22(26)25-13-11-24(12-14-25)10-6-9-20-7-4-3-5-8-20/h3-9,15-17H,10-14H2,1-2H3,(H,23,26)/b9-6+
InChIKeyVYAYNCMQZYIQBU-RMKNXTFCSA-N
MW349.48 g/mol
LogP4.17
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (PubChem CID 6470613) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
PubChem CID6470613
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O/c1-18-15-19(2)17-21(16-18)23-22(26)25-13-11-24(12-14-25)10-6-9-20-7-4-3-5-8-20/h3-9,15-17H,10-14H2,1-2H3,(H,23,26)/b9-6+
InChIKeyVYAYNCMQZYIQBU-RMKNXTFCSA-N
XLogP4.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (CID 6470613) is N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The InChIKey is VYAYNCMQZYIQBU-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H27N3O/c1-18-15-19(2)17-21(16-18)23-22(26)25-13-11-24(12-14-25)10-6-9-20-7-4-3-5-8-20/h3-9,15-17H,10-14H2,1-2H3,(H,23,26)/b9-6+.
What are the key properties of N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 6470613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).