N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide

C21H25N5O — CID 4644254

IUPACN-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C21H25N5O/c1-21(2,3)17-5-7-18(8-6-17)24-20(27)26-12-10-25(11-13-26)19-9-4-16(14-22)15-23-19/h4-9,15H,10-13H2,1-3H3,(H,24,27)
InChIKeyWPAWIBUDSFBBFI-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.60
Rot. Bonds2

About N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide

N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 4644254) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
PubChem CID4644254
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C21H25N5O/c1-21(2,3)17-5-7-18(8-6-17)24-20(27)26-12-10-25(11-13-26)19-9-4-16(14-22)15-23-19/h4-9,15H,10-13H2,1-3H3,(H,24,27)
InChIKeyWPAWIBUDSFBBFI-UHFFFAOYSA-N
XLogP3.60
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide (CID 4644254) is N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is WPAWIBUDSFBBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-21(2,3)17-5-7-18(8-6-17)24-20(27)26-12-10-25(11-13-26)19-9-4-16(14-22)15-23-19/h4-9,15H,10-13H2,1-3H3,(H,24,27).
What are the key properties of N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide?
N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 4644254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).