[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C25H30N2O4 — CID 55758048

IUPAC[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCCc4cc(C)ccc43)CC2)c1
InChIInChI=1S/C25H30N2O4/c1-17-6-7-23-19(13-17)5-4-10-27(23)25(29)18-8-11-26(12-9-18)24(28)20-14-21(30-2)16-22(15-20)31-3/h6-7,13-16,18H,4-5,8-12H2,1-3H3
InChIKeyWXKDELFBMKIKOR-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.84
Rot. Bonds4

About [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 55758048) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID55758048
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCCc4cc(C)ccc43)CC2)c1
InChIInChI=1S/C25H30N2O4/c1-17-6-7-23-19(13-17)5-4-10-27(23)25(29)18-8-11-26(12-9-18)24(28)20-14-21(30-2)16-22(15-20)31-3/h6-7,13-16,18H,4-5,8-12H2,1-3H3
InChIKeyWXKDELFBMKIKOR-UHFFFAOYSA-N
XLogP3.84
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

[1-(4-fluorobenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78776232
methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate
CID 55759063
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 118602693
3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
CID 113006321
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
(3,5-dimethoxy-4-methylphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288929
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361748
[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288933
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119269291
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 26083799

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 55758048) is [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCCc4cc(C)ccc43)CC2)c1.
What is the InChIKey of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is WXKDELFBMKIKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-17-6-7-23-19(13-17)5-4-10-27(23)25(29)18-8-11-26(12-9-18)24(28)20-14-21(30-2)16-22(15-20)31-3/h6-7,13-16,18H,4-5,8-12H2,1-3H3.
What are the key properties of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 422.53 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 55758048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).