N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide

C21H28FN3O2 — CID 165433473

IUPACN-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(CC(=O)N2CCCc3ccccc32)CC1)C1CC1
InChIInChI=1S/C21H28FN3O2/c22-21(15-23-20(27)17-7-8-17)9-12-24(13-10-21)14-19(26)25-11-3-5-16-4-1-2-6-18(16)25/h1-2,4,6,17H,3,5,7-15H2,(H,23,27)
InChIKeyQLCWYCLJHYEJEE-UHFFFAOYSA-N
MW373.47 g/mol
LogP2.30
Rot. Bonds5

About N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 165433473) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID165433473
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC NameN-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(CC(=O)N2CCCc3ccccc32)CC1)C1CC1
InChIInChI=1S/C21H28FN3O2/c22-21(15-23-20(27)17-7-8-17)9-12-24(13-10-21)14-19(26)25-11-3-5-16-4-1-2-6-18(16)25/h1-2,4,6,17H,3,5,7-15H2,(H,23,27)
InChIKeyQLCWYCLJHYEJEE-UHFFFAOYSA-N
XLogP2.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide
CID 86902954
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673139
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728544
N-[1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 86903006
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119928044
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60645184
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119883288
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 165433433
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 111496396

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide (CID 165433473) is N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide is O=C(NCC1(F)CCN(CC(=O)N2CCCc3ccccc32)CC1)C1CC1.
What is the InChIKey of N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is QLCWYCLJHYEJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c22-21(15-23-20(27)17-7-8-17)9-12-24(13-10-21)14-19(26)25-11-3-5-16-4-1-2-6-18(16)25/h1-2,4,6,17H,3,5,7-15H2,(H,23,27).
What are the key properties of N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 373.47 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 165433473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).