N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

C20H26N4O — CID 108990373

IUPACN-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4O/c1-20(2,3)16-8-4-5-9-17(16)22-19(25)24-14-12-23(13-15-24)18-10-6-7-11-21-18/h4-11H,12-15H2,1-3H3,(H,22,25)
InChIKeySBKLYIIRDLHIPM-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.73
Rot. Bonds2

About N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 108990373) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID108990373
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4O/c1-20(2,3)16-8-4-5-9-17(16)22-19(25)24-14-12-23(13-15-24)18-10-6-7-11-21-18/h4-11H,12-15H2,1-3H3,(H,22,25)
InChIKeySBKLYIIRDLHIPM-UHFFFAOYSA-N
XLogP3.73
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-(2-tert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108670
N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide
CID 113103174
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112768640
4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47148349
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108506944
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
dimethyl 5-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3866296
N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957970

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 108990373) is N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is CC(C)(C)c1ccccc1NC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is SBKLYIIRDLHIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-20(2,3)16-8-4-5-9-17(16)22-19(25)24-14-12-23(13-15-24)18-10-6-7-11-21-18/h4-11H,12-15H2,1-3H3,(H,22,25).
What are the key properties of N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108990373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).