3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one

C16H24N2O — CID 82246033

IUPAC3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)C1CNCCN1C(=O)CCc1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(2)15-12-17-10-11-18(15)16(19)9-8-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyQLMCOTJBORYGFG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.08
Rot. Bonds4

About 3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one

3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 82246033) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID82246033
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)C1CNCCN1C(=O)CCc1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(2)15-12-17-10-11-18(15)16(19)9-8-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyQLMCOTJBORYGFG-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-propan-2-ylpiperazin-1-yl)butan-1-one
CID 82241181
1-(2-methylpiperazin-1-yl)-4-(2-phenylethoxy)butan-1-one
CID 119471180
1-(2-methylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one;hydrochloride
CID 119473497
1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119470130
1-(3-phenylpropyl)-2-propan-2-ylpiperazine
CID 64832545
3-(4-methylphenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82705117
(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82246394
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
3-(4-chlorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 94993777
4-[3-oxo-3-(2-propan-2-ylpyrrolidin-1-yl)propyl]benzoic acid
CID 119180819
2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 91728658
(1-phenylcyclobutyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82249963

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one (CID 82246033) is 3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)C1CNCCN1C(=O)CCc1ccccc1.
What is the InChIKey of 3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is QLMCOTJBORYGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)15-12-17-10-11-18(15)16(19)9-8-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3.
What are the key properties of 3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one?
3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 82246033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).