1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one

C19H24N2O — CID 59200501

IUPAC1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one
SMILESO=C(CCCCN1CCNCC1)c1ccc2ccccc2c1
InChIInChI=1S/C19H24N2O/c22-19(7-3-4-12-21-13-10-20-11-14-21)18-9-8-16-5-1-2-6-17(16)15-18/h1-2,5-6,8-9,15,20H,3-4,7,10-14H2
InChIKeyRLOMGKJULAUDCY-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.10
Rot. Bonds6

About 1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one

1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one (PubChem CID 59200501) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one
PubChem CID59200501
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one
SMILESO=C(CCCCN1CCNCC1)c1ccc2ccccc2c1
InChIInChI=1S/C19H24N2O/c22-19(7-3-4-12-21-13-10-20-11-14-21)18-9-8-16-5-1-2-6-17(16)15-18/h1-2,5-6,8-9,15,20H,3-4,7,10-14H2
InChIKeyRLOMGKJULAUDCY-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
CID 119393815
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-(4-chloro-3-methylphenyl)-4-piperazin-1-ylbutan-1-one
CID 93213561
7-hydroxy-1-naphthalen-2-ylheptan-1-one
CID 142086733
8-hydroxy-1-naphthalen-2-yloctan-1-one
CID 23072385
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
5-(3-piperazin-1-ylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 96680051
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
4-[4-(isoquinolin-1-ylmethyl)piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one
CID 91601260
1-(4-bromo-3-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264457
1-(3-chloro-4-fluorophenyl)-3-piperazin-1-ylpropan-1-one
CID 96667810

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one?
The IUPAC name of 1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one (CID 59200501) is 1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one.
What is the SMILES notation for 1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one?
The canonical SMILES for 1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one is O=C(CCCCN1CCNCC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one?
The InChIKey is RLOMGKJULAUDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c22-19(7-3-4-12-21-13-10-20-11-14-21)18-9-8-16-5-1-2-6-17(16)15-18/h1-2,5-6,8-9,15,20H,3-4,7,10-14H2.
What are the key properties of 1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one?
1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one has a molecular weight of 296.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one is sourced from PubChem (CID 59200501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).