2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide

C20H26F3N3O3 — CID 42889908

IUPAC2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H26F3N3O3/c1-14(18(27)24-17-4-2-3-16(13-17)20(21,22)23)25-7-5-15(6-8-25)19(28)26-9-11-29-12-10-26/h2-4,13-15H,5-12H2,1H3,(H,24,27)
InChIKeyMRPJXIORIHVKOO-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.60
Rot. Bonds4

About 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide

2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 42889908) has the molecular formula C20H26F3N3O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID42889908
Molecular FormulaC20H26F3N3O3
Molecular Weight413.44 g/mol
Exact Mass413.19
IUPAC Name2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H26F3N3O3/c1-14(18(27)24-17-4-2-3-16(13-17)20(21,22)23)25-7-5-15(6-8-25)19(28)26-9-11-29-12-10-26/h2-4,13-15H,5-12H2,1H3,(H,24,27)
InChIKeyMRPJXIORIHVKOO-UHFFFAOYSA-N
XLogP2.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxane-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007795
N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 42891150
(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 25437860
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78698744
(2S)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 30958520
4-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109146317
(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 97067662
N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927379
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
1-[1-[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 94878702
1-[4-(1-morpholin-4-ylethenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 158434163
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 42889908) is 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1cccc(C(F)(F)F)c1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MRPJXIORIHVKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O3/c1-14(18(27)24-17-4-2-3-16(13-17)20(21,22)23)25-7-5-15(6-8-25)19(28)26-9-11-29-12-10-26/h2-4,13-15H,5-12H2,1H3,(H,24,27).
What are the key properties of 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide?
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 413.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42889908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).