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

C21H28N4O — CID 159063682

IUPACN-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-4-17(3)18-6-8-19(9-7-18)23-21(26)25-13-11-24(12-14-25)20-10-5-16(2)15-22-20/h5-10,15,17H,4,11-14H2,1-3H3,(H,23,26)
InChIKeyWYXCQYLHDLQBAJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.26
Rot. Bonds4

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

N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 159063682) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID159063682
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C)cn3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-4-17(3)18-6-8-19(9-7-18)23-21(26)25-13-11-24(12-14-25)20-10-5-16(2)15-22-20/h5-10,15,17H,4,11-14H2,1-3H3,(H,23,26)
InChIKeyWYXCQYLHDLQBAJ-UHFFFAOYSA-N
XLogP4.26
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.26
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-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159393229
N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159063684
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-[(2S)-butan-2-yl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 40635402
4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 139547744
N-(2-methyl-6-propan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159393230
N-(4-butan-2-ylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 42913960
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;N-(4-butyl-2-methylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;2-(4-tert-butylphenyl)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethanone;2-(4-cyclopropylphenyl)-1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethanone;N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;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)piperazine-1-carboxamide
CID 159415490
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 159063682) is N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide is CCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C)cn3)CC2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is WYXCQYLHDLQBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-17(3)18-6-8-19(9-7-18)23-21(26)25-13-11-24(12-14-25)20-10-5-16(2)15-22-20/h5-10,15,17H,4,11-14H2,1-3H3,(H,23,26).
What are the key properties of N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?
N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 159063682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).