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

C21H28N4O — CID 159393229

IUPACN-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCN(c3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-3-4-5-18-7-9-19(10-8-18)23-21(26)25-14-12-24(13-15-25)20-11-6-17(2)16-22-20/h6-11,16H,3-5,12-15H2,1-2H3,(H,23,26)
InChIKeyUMTBHWKURUNYPY-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.09
Rot. Bonds5

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

N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 159393229) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID159393229
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCN(c3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-3-4-5-18-7-9-19(10-8-18)23-21(26)25-14-12-24(13-15-25)20-11-6-17(2)16-22-20/h6-11,16H,3-5,12-15H2,1-2H3,(H,23,26)
InChIKeyUMTBHWKURUNYPY-UHFFFAOYSA-N
XLogP4.09
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 59676624
N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159063682
N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159063684
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
methane;1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide;bis(4-(5-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide)
CID 161299123
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
4-[(4-butylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240911
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149102
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 159393229) is N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide is CCCCc1ccc(NC(=O)N2CCN(c3ccc(C)cn3)CC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is UMTBHWKURUNYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-4-5-18-7-9-19(10-8-18)23-21(26)25-14-12-24(13-15-25)20-11-6-17(2)16-22-20/h6-11,16H,3-5,12-15H2,1-2H3,(H,23,26).
What are the key properties of N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?
N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 159393229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).