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

C24H28F3N3O2 — CID 57441148

IUPAC1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)n(C)c(=O)c1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C24H28F3N3O2/c1-16-14-20(17-6-5-7-18(15-17)24(25,26)27)28(2)22(31)21(16)23(32)30-12-8-19(9-13-30)29-10-3-4-11-29/h5-7,14-15,19H,3-4,8-13H2,1-2H3
InChIKeyBKUAZXIUHBRYRG-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.08
Rot. Bonds3

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

1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 57441148) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID57441148
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)n(C)c(=O)c1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C24H28F3N3O2/c1-16-14-20(17-6-5-7-18(15-17)24(25,26)27)28(2)22(31)21(16)23(32)30-12-8-19(9-13-30)29-10-3-4-11-29/h5-7,14-15,19H,3-4,8-13H2,1-2H3
InChIKeyBKUAZXIUHBRYRG-UHFFFAOYSA-N
XLogP4.08
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 150147324
[6-(hydroxymethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 44547505
[2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]phenyl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
CID 66901568
[6-(2-hydroxyethylamino)-3-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 44547500
[5-[3,5-bis(trifluoromethyl)phenyl]-3-methylthiophen-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 89011143
N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693352
[3-methyl-6-(2-phenylmethoxyethylamino)-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 67025369
[(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
[5-chloro-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
CID 67132961
[3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 25152680
2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 172876886

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one (CID 57441148) is 1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one is Cc1cc(-c2cccc(C(F)(F)F)c2)n(C)c(=O)c1C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is BKUAZXIUHBRYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c1-16-14-20(17-6-5-7-18(15-17)24(25,26)27)28(2)22(31)21(16)23(32)30-12-8-19(9-13-30)29-10-3-4-11-29/h5-7,14-15,19H,3-4,8-13H2,1-2H3.
What are the key properties of 1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one?
1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 447.50 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 57441148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).