N-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

C19H24N4O — CID 17381530

IUPACN-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H24N4O/c1-15(2)16-6-8-17(9-7-16)21-19(24)23-13-11-22(12-14-23)18-5-3-4-10-20-18/h3-10,15H,11-14H2,1-2H3,(H,21,24)
InChIKeyUWAKJKCVAYLAME-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.56
Rot. Bonds3

About N-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 17381530) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID17381530
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H24N4O/c1-15(2)16-6-8-17(9-7-16)21-19(24)23-13-11-22(12-14-23)18-5-3-4-10-20-18/h3-10,15H,11-14H2,1-2H3,(H,21,24)
InChIKeyUWAKJKCVAYLAME-UHFFFAOYSA-N
XLogP3.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 17381530) is N-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is UWAKJKCVAYLAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15(2)16-6-8-17(9-7-16)21-19(24)23-13-11-22(12-14-23)18-5-3-4-10-20-18/h3-10,15H,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 17381530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).