N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide

C24H31N3O — CID 90566900

IUPACN-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCN(C3CC3)CC2c2ccccc2)cc1
InChIInChI=1S/C24H31N3O/c1-24(2,3)19-9-11-20(12-10-19)25-23(28)27-16-15-26(21-13-14-21)17-22(27)18-7-5-4-6-8-18/h4-12,21-22H,13-17H2,1-3H3,(H,25,28)
InChIKeyDALPWBCGBPMLKM-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.04
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide

N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide (PubChem CID 90566900) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide
PubChem CID90566900
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCN(C3CC3)CC2c2ccccc2)cc1
InChIInChI=1S/C24H31N3O/c1-24(2,3)19-9-11-20(12-10-19)25-23(28)27-16-15-26(21-13-14-21)17-22(27)18-7-5-4-6-8-18/h4-12,21-22H,13-17H2,1-3H3,(H,25,28)
InChIKeyDALPWBCGBPMLKM-UHFFFAOYSA-N
XLogP5.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide (CID 90566900) is N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCN(C3CC3)CC2c2ccccc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide?
The InChIKey is DALPWBCGBPMLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-24(2,3)19-9-11-20(12-10-19)25-23(28)27-16-15-26(21-13-14-21)17-22(27)18-7-5-4-6-8-18/h4-12,21-22H,13-17H2,1-3H3,(H,25,28).
What are the key properties of N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide?
N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 90566900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).