1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one

C16H24N2O — CID 82246030

IUPAC1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(C(C)C)NCC1c1ccccc1
InChIInChI=1S/C16H24N2O/c1-4-16(19)18-11-14(12(2)3)17-10-15(18)13-8-6-5-7-9-13/h5-9,12,14-15,17H,4,10-11H2,1-3H3
InChIKeyMXAHEQDHTQWNMU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one

1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 82246030) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID82246030
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(C(C)C)NCC1c1ccccc1
InChIInChI=1S/C16H24N2O/c1-4-16(19)18-11-14(12(2)3)17-10-15(18)13-8-6-5-7-9-13/h5-9,12,14-15,17H,4,10-11H2,1-3H3
InChIKeyMXAHEQDHTQWNMU-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine
CID 82249420
1-(2-methylcyclopropyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64936441
1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64840410
1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine
CID 106224606
1-but-3-yn-2-yl-2-phenyl-5-propan-2-ylpiperazine
CID 114420436
1-(3-ethoxypropyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64953087
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792
1-(5-benzyl-2-phenylpiperazin-1-yl)ethanone
CID 82251294
2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide
CID 82246217
5-ethyl-2-phenyl-1-propan-2-ylpiperazine
CID 64843317
2-phenyl-5-propan-2-yl-1-pyridin-3-ylpiperazine
CID 64952268

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one (CID 82246030) is 1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one is CCC(=O)N1CC(C(C)C)NCC1c1ccccc1.
What is the InChIKey of 1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is MXAHEQDHTQWNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-16(19)18-11-14(12(2)3)17-10-15(18)13-8-6-5-7-9-13/h5-9,12,14-15,17H,4,10-11H2,1-3H3.
What are the key properties of 1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one?
1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 82246030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).