6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one

C25H28N2O3 — CID 13363014

IUPAC6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one
SMILESCC(=O)C1(c2ccccc2)CCN(CCCOc2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C25H28N2O3/c1-19(28)25(21-6-3-2-4-7-21)12-15-27(16-13-25)14-5-17-30-22-9-10-23-20(18-22)8-11-24(29)26-23/h2-4,6-11,18H,5,12-17H2,1H3,(H,26,29)
InChIKeyBOMCVAAFVPJKIR-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.92
Rot. Bonds7

About 6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one

6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one (PubChem CID 13363014) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one
PubChem CID13363014
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one
SMILESCC(=O)C1(c2ccccc2)CCN(CCCOc2ccc3[nH]c(=O)ccc3c2)CC1
InChIInChI=1S/C25H28N2O3/c1-19(28)25(21-6-3-2-4-7-21)12-15-27(16-13-25)14-5-17-30-22-9-10-23-20(18-22)8-11-24(29)26-23/h2-4,6-11,18H,5,12-17H2,1H3,(H,26,29)
InChIKeyBOMCVAAFVPJKIR-UHFFFAOYSA-N
XLogP3.92
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391
7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 135231666
6-(2-chloroethoxy)-1H-quinolin-2-one
CID 20540025
6-[3-[1-(2-phenylethyl)tetrazol-5-yl]propoxy]-1H-quinolin-2-one
CID 23454021
1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
CID 67764311
6-[3-(1-methyltetrazol-5-yl)propoxy]-1H-quinolin-2-one
CID 23454092
7-[4-[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]butoxy]-1H-quinolin-2-one
CID 66633584
7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 10812321
N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
CID 13112648
1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168568
6-[5-[2-(4-methoxypiperidin-1-yl)ethyl-[(2-methylphenyl)methyl]amino]pentoxy]-1H-quinolin-2-one
CID 50991932

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one?
The IUPAC name of 6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one (CID 13363014) is 6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one is CC(=O)C1(c2ccccc2)CCN(CCCOc2ccc3[nH]c(=O)ccc3c2)CC1.
What is the InChIKey of 6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one?
The InChIKey is BOMCVAAFVPJKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-19(28)25(21-6-3-2-4-7-21)12-15-27(16-13-25)14-5-17-30-22-9-10-23-20(18-22)8-11-24(29)26-23/h2-4,6-11,18H,5,12-17H2,1H3,(H,26,29).
What are the key properties of 6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one?
6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one has a molecular weight of 404.51 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-acetyl-4-phenylpiperidin-1-yl)propoxy]-1H-quinolin-2-one is sourced from PubChem (CID 13363014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).