1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone

C25H29F3N2O2 — CID 69335519

IUPAC1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1c(F)cccc1F
InChIInChI=1S/C25H29F3N2O2/c1-17-13-18(26)7-8-19(17)20-14-30(25(31)15-29-10-2-3-11-29)12-9-24(20)32-16-21-22(27)5-4-6-23(21)28/h4-8,13,20,24H,2-3,9-12,14-16H2,1H3
InChIKeySULMVJBYCCMVPU-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.41
Rot. Bonds6

About 1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone

1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 69335519) has the molecular formula C25H29F3N2O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID69335519
Molecular FormulaC25H29F3N2O2
Molecular Weight446.51 g/mol
Exact Mass446.22
IUPAC Name1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1c(F)cccc1F
InChIInChI=1S/C25H29F3N2O2/c1-17-13-18(26)7-8-19(17)20-14-30(25(31)15-29-10-2-3-11-29)12-9-24(20)32-16-21-22(27)5-4-6-23(21)28/h4-8,13,20,24H,2-3,9-12,14-16H2,1H3
InChIKeySULMVJBYCCMVPU-UHFFFAOYSA-N
XLogP4.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)acetyl]-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 87763191
[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(2-methylphenyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 11548035
3-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 42286411
3-[1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45179339
2-(4-acetylpiperazin-1-yl)-1-[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]ethanone
CID 86606833
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
benzyl N-[(3S)-1-acetyl-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
CID 170249315
3-(4-fluoro-2-methylphenyl)-4-[(2-fluorophenyl)methoxy]piperidine
CID 11638283
4-[(4-chlorobenzoyl)-methylamino]-3-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 68939101
1-[(3aS,4S,6aR)-4-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-pyrrolidin-1-ylethanone
CID 110109807
1-[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-4-ylethanone
CID 11584639
tert-butyl (3S,4S)-3-(4-fluoro-2-methylphenyl)-4-(methylamino)piperidine-1-carboxylate
CID 58990725

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 69335519) is 1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone is Cc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1c(F)cccc1F.
What is the InChIKey of 1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is SULMVJBYCCMVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O2/c1-17-13-18(26)7-8-19(17)20-14-30(25(31)15-29-10-2-3-11-29)12-9-24(20)32-16-21-22(27)5-4-6-23(21)28/h4-8,13,20,24H,2-3,9-12,14-16H2,1H3.
What are the key properties of 1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 446.51 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 69335519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).