4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C21H24N4O — CID 23799232

IUPAC4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C21H24N4O/c1-16(2)18-5-7-19(8-6-18)23-21(26)25-13-11-24(12-14-25)20-9-3-17(15-22)4-10-20/h3-10,16H,11-14H2,1-2H3,(H,23,26)
InChIKeyTZHZVOBZZNWAFB-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.04
Rot. Bonds3

About 4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 23799232) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID23799232
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C21H24N4O/c1-16(2)18-5-7-19(8-6-18)23-21(26)25-13-11-24(12-14-25)20-9-3-17(15-22)4-10-20/h3-10,16H,11-14H2,1-2H3,(H,23,26)
InChIKeyTZHZVOBZZNWAFB-UHFFFAOYSA-N
XLogP4.04
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
methyl 4-[4-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112397
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826
ethyl 4-[4-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112405
N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 113114814
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113110702
methyl 3-[[4-(4-cyanophenyl)piperazine-1-carbonyl]amino]benzoate
CID 3810265

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 23799232) is 4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is TZHZVOBZZNWAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16(2)18-5-7-19(8-6-18)23-21(26)25-13-11-24(12-14-25)20-9-3-17(15-22)4-10-20/h3-10,16H,11-14H2,1-2H3,(H,23,26).
What are the key properties of 4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 23799232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).