[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C24H23F5N2O3 — CID 55639965

IUPAC[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1ccccc1OC(F)F)N1CCCC(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)C1
InChIInChI=1S/C24H23F5N2O3/c25-23(26)34-20-8-2-1-7-18(20)22(33)30-11-3-6-16(14-30)21(32)31-12-4-5-15-13-17(24(27,28)29)9-10-19(15)31/h1-2,7-10,13,16,23H,3-6,11-12,14H2
InChIKeyHQCWDNKLDRSVRD-UHFFFAOYSA-N
MW482.45 g/mol
LogP5.14
Rot. Bonds4

About [1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 55639965) has the molecular formula C24H23F5N2O3 and a molecular weight of 482.45 g/mol. Its IUPAC name is [1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID55639965
Molecular FormulaC24H23F5N2O3
Molecular Weight482.45 g/mol
Exact Mass482.16
IUPAC Name[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1ccccc1OC(F)F)N1CCCC(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)C1
InChIInChI=1S/C24H23F5N2O3/c25-23(26)34-20-8-2-1-7-18(20)22(33)30-11-3-6-16(14-30)21(32)31-12-4-5-15-13-17(24(27,28)29)9-10-19(15)31/h1-2,7-10,13,16,23H,3-6,11-12,14H2
InChIKeyHQCWDNKLDRSVRD-UHFFFAOYSA-N
XLogP5.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468
1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 46434757
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86954588
N-[1-[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480263
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55638637
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 55637957
[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride
CID 119466370
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 55608451
oxan-4-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 52572016

Frequently Asked Questions

What is the IUPAC name of [1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of [1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 55639965) is [1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for [1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for [1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C(c1ccccc1OC(F)F)N1CCCC(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)C1.
What is the InChIKey of [1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is HQCWDNKLDRSVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F5N2O3/c25-23(26)34-20-8-2-1-7-18(20)22(33)30-11-3-6-16(14-30)21(32)31-12-4-5-15-13-17(24(27,28)29)9-10-19(15)31/h1-2,7-10,13,16,23H,3-6,11-12,14H2.
What are the key properties of [1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 482.45 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 55639965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).