4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one

C22H28F3N3O — CID 148529034

IUPAC4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one
SMILESCCN(C)CCCC(=O)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1
InChIInChI=1S/C22H28F3N3O/c1-3-27(2)13-5-7-20(29)16-10-14-28(15-11-16)19-9-8-18(22(23,24)25)21-17(19)6-4-12-26-21/h4,6,8-9,12,16H,3,5,7,10-11,13-15H2,1-2H3
InChIKeyMPXLNRMHPQXTCZ-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.77
Rot. Bonds7

About 4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one

4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one (PubChem CID 148529034) has the molecular formula C22H28F3N3O and a molecular weight of 407.48 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one
PubChem CID148529034
Molecular FormulaC22H28F3N3O
Molecular Weight407.48 g/mol
Exact Mass407.22
IUPAC Name4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one
SMILESCCN(C)CCCC(=O)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1
InChIInChI=1S/C22H28F3N3O/c1-3-27(2)13-5-7-20(29)16-10-14-28(15-11-16)19-9-8-18(22(23,24)25)21-17(19)6-4-12-26-21/h4,6,8-9,12,16H,3,5,7,10-11,13-15H2,1-2H3
InChIKeyMPXLNRMHPQXTCZ-UHFFFAOYSA-N
XLogP4.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one with MolForge

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Related Compounds

N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide
CID 129266606
2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium
CID 153398900
1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 153398901
2-(4-methylpiperazin-1-yl)-N-[(3R,5S)-5-(trifluoromethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 156694866
3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide
CID 156755881
tert-butyl 6-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-5-oxohexanoate
CID 161485665
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol
CID 129241108
3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 146316950
2-[[(5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ylidene]amino]acetamide
CID 145336464
N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 90349844
5-[4-(dimethylamino)piperidin-1-yl]quinolin-8-amine
CID 43585725

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one?
The IUPAC name of 4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one (CID 148529034) is 4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one.
What is the SMILES notation for 4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one?
The canonical SMILES for 4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one is CCN(C)CCCC(=O)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1.
What is the InChIKey of 4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one?
The InChIKey is MPXLNRMHPQXTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O/c1-3-27(2)13-5-7-20(29)16-10-14-28(15-11-16)19-9-8-18(22(23,24)25)21-17(19)6-4-12-26-21/h4,6,8-9,12,16H,3,5,7,10-11,13-15H2,1-2H3.
What are the key properties of 4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one?
4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one has a molecular weight of 407.48 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one is sourced from PubChem (CID 148529034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).