6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile

C21H24N4O2 — CID 139532062

IUPAC6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(C)c1ccc(C(O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(2)17-4-6-18(7-5-17)20(26)21(27)25-11-9-24(10-12-25)19-8-3-16(13-22)14-23-19/h3-8,14-15,20,26H,9-12H2,1-2H3
InChIKeyOZBGMQJCOAGOAZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.46
Rot. Bonds4

About 6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 139532062) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID139532062
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(C)c1ccc(C(O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-15(2)17-4-6-18(7-5-17)20(26)21(27)25-11-9-24(10-12-25)19-8-3-16(13-22)14-23-19/h3-8,14-15,20,26H,9-12H2,1-2H3
InChIKeyOZBGMQJCOAGOAZ-UHFFFAOYSA-N
XLogP2.46
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 139532134
CID 139532134
CID 3994190
CID 3994190
CID 14137
CID 14137
CID 24763113
CID 24763113
CID 53513851
CID 53513851
CID 56811258
CID 56811258
CID 56811490
CID 56811490
CID 56815170
CID 56815170
CID 56815171
CID 56815171
CID 56815172
CID 56815172
CID 56815173
CID 56815173
CID 38030194
CID 38030194

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 139532062) is 6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile is CC(C)c1ccc(C(O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1.
What is the InChIKey of 6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is OZBGMQJCOAGOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(2)17-4-6-18(7-5-17)20(26)21(27)25-11-9-24(10-12-25)19-8-3-16(13-22)14-23-19/h3-8,14-15,20,26H,9-12H2,1-2H3.
What are the key properties of 6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-hydroxy-2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 139532062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).