1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one

C24H28N2O3 — CID 113006333

IUPAC1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C24H28N2O3/c27-23(14-18-29-21-9-2-1-3-10-21)25-16-12-20(13-17-25)24(28)26-15-6-8-19-7-4-5-11-22(19)26/h1-5,7,9-11,20H,6,8,12-18H2
InChIKeyHXIDZRXONAHRDT-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.67
Rot. Bonds5

About 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one

1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 113006333) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
PubChem CID113006333
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C24H28N2O3/c27-23(14-18-29-21-9-2-1-3-10-21)25-16-12-20(13-17-25)24(28)26-15-6-8-19-7-4-5-11-22(19)26/h1-5,7,9-11,20H,6,8,12-18H2
InChIKeyHXIDZRXONAHRDT-UHFFFAOYSA-N
XLogP3.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 113006316
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
3-phenoxy-1-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 56543111
1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
CID 119176074
2-[2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 138002006
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate
CID 86826616
1-[4-(4-benzyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 55856431
1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 112844277
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one (CID 113006333) is 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCC(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is HXIDZRXONAHRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-23(14-18-29-21-9-2-1-3-10-21)25-16-12-20(13-17-25)24(28)26-15-6-8-19-7-4-5-11-22(19)26/h1-5,7,9-11,20H,6,8,12-18H2.
What are the key properties of 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one?
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 392.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 113006333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).