1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one

C23H26F3N3O2 — CID 150147324

IUPAC1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCn1c(-c2cccc(C(F)(F)F)c2)ccc(C(=O)N2CCC(N3CCCC3)CC2)c1=O
InChIInChI=1S/C23H26F3N3O2/c1-27-20(16-5-4-6-17(15-16)23(24,25)26)8-7-19(21(27)30)22(31)29-13-9-18(10-14-29)28-11-2-3-12-28/h4-8,15,18H,2-3,9-14H2,1H3
InChIKeyFENLBNIGNPQIMM-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.77
Rot. Bonds3

About 1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one

1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 150147324) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID150147324
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCn1c(-c2cccc(C(F)(F)F)c2)ccc(C(=O)N2CCC(N3CCCC3)CC2)c1=O
InChIInChI=1S/C23H26F3N3O2/c1-27-20(16-5-4-6-17(15-16)23(24,25)26)8-7-19(21(27)30)22(31)29-13-9-18(10-14-29)28-11-2-3-12-28/h4-8,15,18H,2-3,9-14H2,1H3
InChIKeyFENLBNIGNPQIMM-UHFFFAOYSA-N
XLogP3.77
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 57441148
[6-(hydroxymethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 44547505
1-methyl-6-phenyl-3-(piperazine-1-carbonyl)pyridin-2-one
CID 82521316
[6-(2-hydroxyethylamino)-3-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 44547500
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 29258112
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45206649
1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one
CID 110242925
[5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 89011143
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837
N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693352
1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrole-2-carbaldehyde
CID 28811541

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one (CID 150147324) is 1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one is Cn1c(-c2cccc(C(F)(F)F)c2)ccc(C(=O)N2CCC(N3CCCC3)CC2)c1=O.
What is the InChIKey of 1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is FENLBNIGNPQIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-27-20(16-5-4-6-17(15-16)23(24,25)26)8-7-19(21(27)30)22(31)29-13-9-18(10-14-29)28-11-2-3-12-28/h4-8,15,18H,2-3,9-14H2,1H3.
What are the key properties of 1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one?
1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 433.47 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 150147324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).