6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one

C24H34N2O3 — CID 70955720

IUPAC6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(OCCCC(=O)N3CCN(C4CCCCC4)CC3)ccc2C1
InChIInChI=1S/C24H34N2O3/c27-22-10-8-20-18-23(11-9-19(20)17-22)29-16-4-7-24(28)26-14-12-25(13-15-26)21-5-2-1-3-6-21/h9,11,18,21H,1-8,10,12-17H2
InChIKeyRONBOHRLWCMGJP-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.38
Rot. Bonds6

About 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one

6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 70955720) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one
PubChem CID70955720
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(OCCCC(=O)N3CCN(C4CCCCC4)CC3)ccc2C1
InChIInChI=1S/C24H34N2O3/c27-22-10-8-20-18-23(11-9-19(20)17-22)29-16-4-7-24(28)26-14-12-25(13-15-26)21-5-2-1-3-6-21/h9,11,18,21H,1-8,10,12-17H2
InChIKeyRONBOHRLWCMGJP-UHFFFAOYSA-N
XLogP3.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110741288
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 86845648
7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 172880240
1-(4-cyclobutylpiperazin-1-yl)-2-(6-cyclopentyloxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 24751227
2-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 134020573
1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]piperidine-4-carboxylic acid
CID 119166685
6-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55595558
6-[4-(3-methylpiperidin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 134005090
1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]pyrrolidine-3-carboxylic acid
CID 119355075
1-(4-cyclopentylpiperazin-1-yl)ethanone;7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 143540790
1-(4-cyclohexylpiperazin-1-yl)-4-(3,4-dimethoxyphenyl)butan-1-one
CID 18456269
6-(5-oxo-5-piperazin-1-ylpentoxy)-3,4-dihydro-1H-quinolin-2-one
CID 70505703

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one (CID 70955720) is 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2cc(OCCCC(=O)N3CCN(C4CCCCC4)CC3)ccc2C1.
What is the InChIKey of 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is RONBOHRLWCMGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c27-22-10-8-20-18-23(11-9-19(20)17-22)29-16-4-7-24(28)26-14-12-25(13-15-26)21-5-2-1-3-6-21/h9,11,18,21H,1-8,10,12-17H2.
What are the key properties of 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one?
6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 398.55 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 70955720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).