1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one

C18H22F3N3O2 — CID 119561222

IUPAC1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCNC1CCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H22F3N3O2/c1-22-14-4-7-23(8-5-14)17(26)12-9-13(18(19,20)21)11-15(10-12)24-6-2-3-16(24)25/h9-11,14,22H,2-8H2,1H3
InChIKeyKJRVFZWBPWWZFY-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.66
Rot. Bonds3

About 1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one

1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 119561222) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID119561222
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCNC1CCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H22F3N3O2/c1-22-14-4-7-23(8-5-14)17(26)12-9-13(18(19,20)21)11-15(10-12)24-6-2-3-16(24)25/h9-11,14,22H,2-8H2,1H3
InChIKeyKJRVFZWBPWWZFY-UHFFFAOYSA-N
XLogP2.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 86958202
1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 136523359
(2R)-4-[3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzoyl]morpholine-2-carboxylic acid
CID 129468770
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119456665
3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide
CID 119425956
(2R)-3-methyl-2-[[3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 119369481
N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119383232
N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119641158
(4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 119377027
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide
CID 119654050
(3-fluoro-5-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559740
1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 119159271

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 119561222) is 1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one is CNC1CCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is KJRVFZWBPWWZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-22-14-4-7-23(8-5-14)17(26)12-9-13(18(19,20)21)11-15(10-12)24-6-2-3-16(24)25/h9-11,14,22H,2-8H2,1H3.
What are the key properties of 1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one?
1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 369.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 119561222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).