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

C20H28N2O2 — CID 113006316

IUPAC1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C20H28N2O2/c1-2-3-10-19(23)21-14-11-17(12-15-21)20(24)22-13-6-8-16-7-4-5-9-18(16)22/h4-5,7,9,17H,2-3,6,8,10-15H2,1H3
InChIKeyPKJXMDYLCMIDDI-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.39
Rot. Bonds4

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

1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one (PubChem CID 113006316) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one
PubChem CID113006316
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C20H28N2O2/c1-2-3-10-19(23)21-14-11-17(12-15-21)20(24)22-13-6-8-16-7-4-5-9-18(16)22/h4-5,7,9,17H,2-3,6,8,10-15H2,1H3
InChIKeyPKJXMDYLCMIDDI-UHFFFAOYSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 113006333
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate
CID 86826616
3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113006349
1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one
CID 87025069
1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 87023568
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
CID 113006321
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
2-[2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 138002006
3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 25398992
3,4-dihydro-2H-quinolin-1-yl(oxan-3-yl)methanone
CID 71879683

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one (CID 113006316) is 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one?
The InChIKey is PKJXMDYLCMIDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-3-10-19(23)21-14-11-17(12-15-21)20(24)22-13-6-8-16-7-4-5-9-18(16)22/h4-5,7,9,17H,2-3,6,8,10-15H2,1H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one?
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one has a molecular weight of 328.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 113006316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).