4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide

C24H30N4O — CID 23821172

IUPAC4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2ccccc2C#N)CC1
InChIInChI=1S/C24H30N4O/c1-17(2)20-9-7-10-21(18(3)4)23(20)26-24(29)28-14-12-27(13-15-28)22-11-6-5-8-19(22)16-25/h5-11,17-18H,12-15H2,1-4H3,(H,26,29)
InChIKeyCCQNEJRBQQKVSR-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.16
Rot. Bonds4

About 4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide

4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide (PubChem CID 23821172) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide
PubChem CID23821172
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2ccccc2C#N)CC1
InChIInChI=1S/C24H30N4O/c1-17(2)20-9-7-10-21(18(3)4)23(20)26-24(29)28-14-12-27(13-15-28)22-11-6-5-8-19(22)16-25/h5-11,17-18H,12-15H2,1-4H3,(H,26,29)
InChIKeyCCQNEJRBQQKVSR-UHFFFAOYSA-N
XLogP5.16
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyanophenyl)-N-(2,6-dibromo-4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 3818405
N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 108988458
N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103376
4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 74229078
4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112174
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112277
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111919
4-(2-cyanophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 3821127
4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3758236
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-cyanophenyl)piperazine-1-carboxamide
CID 3799231

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide (CID 23821172) is 4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2ccccc2C#N)CC1.
What is the InChIKey of 4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is CCQNEJRBQQKVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-17(2)20-9-7-10-21(18(3)4)23(20)26-24(29)28-14-12-27(13-15-28)22-11-6-5-8-19(22)16-25/h5-11,17-18H,12-15H2,1-4H3,(H,26,29).
What are the key properties of 4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide?
4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 23821172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).