2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one

C23H31N3O — CID 165380517

IUPAC2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCC(C)c1cccc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)nc2)c1
InChIInChI=1S/C23H31N3O/c1-17(2)18-7-6-8-19(15-18)20-9-10-21(24-16-20)25-11-13-26(14-12-25)22(27)23(3,4)5/h6-10,15-17H,11-14H2,1-5H3
InChIKeyQSMUOVGQDSEJSO-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.57
Rot. Bonds3

About 2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one (PubChem CID 165380517) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
PubChem CID165380517
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCC(C)c1cccc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)nc2)c1
InChIInChI=1S/C23H31N3O/c1-17(2)18-7-6-8-19(15-18)20-9-10-21(24-16-20)25-11-13-26(14-12-25)22(27)23(3,4)5/h6-10,15-17H,11-14H2,1-5H3
InChIKeyQSMUOVGQDSEJSO-UHFFFAOYSA-N
XLogP4.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-[5-(3-methylsulfanylphenyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 167219049
4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 68644218
N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 58006679
2,2-dimethyl-1-[4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-1-one
CID 86696459
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047688
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
CID 165380767
2-[6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137263133
6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide
CID 133355008
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 124503003
1-[4-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 126750535
3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 53150002

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one (CID 165380517) is 2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one is CC(C)c1cccc(-c2ccc(N3CCN(C(=O)C(C)(C)C)CC3)nc2)c1.
What is the InChIKey of 2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one?
The InChIKey is QSMUOVGQDSEJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17(2)18-7-6-8-19(15-18)20-9-10-21(24-16-20)25-11-13-26(14-12-25)22(27)23(3,4)5/h6-10,15-17H,11-14H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one has a molecular weight of 365.52 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[5-(3-propan-2-ylphenyl)-2-pyridinyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 165380517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).