1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one

C19H24N2O — CID 70916258

IUPAC1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one
SMILESCCCC(=O)C(c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C19H24N2O/c1-2-5-18(22)19(21-12-10-20-11-13-21)17-9-8-15-6-3-4-7-16(15)14-17/h3-4,6-9,14,19-20H,2,5,10-13H2,1H3
InChIKeyKWAMHGRPTGTRCH-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.16
Rot. Bonds5

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

1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one (PubChem CID 70916258) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one
PubChem CID70916258
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one
SMILESCCCC(=O)C(c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C19H24N2O/c1-2-5-18(22)19(21-12-10-20-11-13-21)17-9-8-15-6-3-4-7-16(15)14-17/h3-4,6-9,14,19-20H,2,5,10-13H2,1H3
InChIKeyKWAMHGRPTGTRCH-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one
CID 70916217
1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[(1R)-1-naphthalen-2-ylpentyl]piperazine;dihydrochloride
CID 171307529
(2R)-2-naphthalen-2-yl-2-piperazin-1-ylethanol
CID 171183408
1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine
CID 171304370
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-naphthalen-2-yl-2-piperazin-1-ylacetamide
CID 18342732
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine
CID 116946784
1-(1-naphthalen-2-ylethyl)-1,4-diazepane
CID 61058086
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-ylpentan-2-one?
The IUPAC name of 1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one (CID 70916258) is 1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one.
What is the SMILES notation for 1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one?
The canonical SMILES for 1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one is CCCC(=O)C(c1ccc2ccccc2c1)N1CCNCC1.
What is the InChIKey of 1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one?
The InChIKey is KWAMHGRPTGTRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-5-18(22)19(21-12-10-20-11-13-21)17-9-8-15-6-3-4-7-16(15)14-17/h3-4,6-9,14,19-20H,2,5,10-13H2,1H3.
What are the key properties of 1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one?
1-naphthalen-2-yl-1-piperazin-1-ylpentan-2-one has a molecular weight of 296.41 g/mol, XLogP of 3.16, 5 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-ylpentan-2-one is sourced from PubChem (CID 70916258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).