N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide

C21H28N4O2 — CID 159063684

IUPACN-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ccc(C(C)(C)CO)cc3)CC2)nc1
InChIInChI=1S/C21H28N4O2/c1-16-4-9-19(22-14-16)24-10-12-25(13-11-24)20(27)23-18-7-5-17(6-8-18)21(2,3)15-26/h4-9,14,26H,10-13,15H2,1-3H3,(H,23,27)
InChIKeyLQJUCUKBNALABM-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.01
Rot. Bonds4

About N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide

N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 159063684) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID159063684
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ccc(C(C)(C)CO)cc3)CC2)nc1
InChIInChI=1S/C21H28N4O2/c1-16-4-9-19(22-14-16)24-10-12-25(13-11-24)20(27)23-18-7-5-17(6-8-18)21(2,3)15-26/h4-9,14,26H,10-13,15H2,1-3H3,(H,23,27)
InChIKeyLQJUCUKBNALABM-UHFFFAOYSA-N
XLogP3.01
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159393229
N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 122176304
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 155632607
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-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
4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122336600
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122350650
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 159063684) is N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)(C)CO)cc3)CC2)nc1.
What is the InChIKey of N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is LQJUCUKBNALABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16-4-9-19(22-14-16)24-10-12-25(13-11-24)20(27)23-18-7-5-17(6-8-18)21(2,3)15-26/h4-9,14,26H,10-13,15H2,1-3H3,(H,23,27).
What are the key properties of N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide?
N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 159063684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).