1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one

C18H22N2O — CID 70916217

IUPAC1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one
SMILESCCC(=O)C(c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C18H22N2O/c1-2-17(21)18(20-11-9-19-10-12-20)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13,18-19H,2,9-12H2,1H3
InChIKeyVXCMTYDCFDYRMC-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.77
Rot. Bonds4

About 1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one

1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one (PubChem CID 70916217) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one
PubChem CID70916217
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one
SMILESCCC(=O)C(c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C18H22N2O/c1-2-17(21)18(20-11-9-19-10-12-20)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13,18-19H,2,9-12H2,1H3
InChIKeyVXCMTYDCFDYRMC-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one
CID 70916258
1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
(2R)-2-naphthalen-2-yl-2-piperazin-1-ylethanol
CID 171183408
1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine
CID 171304370
1-[(1R)-1-naphthalen-2-ylpentyl]piperazine;dihydrochloride
CID 171307529
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-naphthalen-2-yl-2-piperazin-1-ylacetamide
CID 18342732
1-(1-naphthalen-2-ylethyl)-1,4-diazepane
CID 61058086
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine
CID 116946784
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
CID 116924119
methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate
CID 116860560
2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813563

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one?
The IUPAC name of 1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one (CID 70916217) is 1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one.
What is the SMILES notation for 1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one?
The canonical SMILES for 1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one is CCC(=O)C(c1ccc2ccccc2c1)N1CCNCC1.
What is the InChIKey of 1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one?
The InChIKey is VXCMTYDCFDYRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-17(21)18(20-11-9-19-10-12-20)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13,18-19H,2,9-12H2,1H3.
What are the key properties of 1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one?
1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one has a molecular weight of 282.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one is sourced from PubChem (CID 70916217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).