1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one

C23H24F3NO2 — CID 59551971

IUPAC1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one
SMILESO=C1CCCCN1[C@@H](c1ccc(F)cc1)[C@H](OCC1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H24F3NO2/c24-18-9-6-16(7-10-18)22(27-12-2-1-3-21(27)28)23(29-14-15-4-5-15)17-8-11-19(25)20(26)13-17/h6-11,13,15,22-23H,1-5,12,14H2/t22-,23+/m0/s1
InChIKeyHHTLPZGNUSHGGI-XZOQPEGZSA-N
MW403.44 g/mol
LogP5.33
Rot. Bonds7

About 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one

1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one (PubChem CID 59551971) has the molecular formula C23H24F3NO2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one
PubChem CID59551971
Molecular FormulaC23H24F3NO2
Molecular Weight403.44 g/mol
Exact Mass403.18
IUPAC Name1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one
SMILESO=C1CCCCN1[C@@H](c1ccc(F)cc1)[C@H](OCC1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H24F3NO2/c24-18-9-6-16(7-10-18)22(27-12-2-1-3-21(27)28)23(29-14-15-4-5-15)17-8-11-19(25)20(26)13-17/h6-11,13,15,22-23H,1-5,12,14H2/t22-,23+/m0/s1
InChIKeyHHTLPZGNUSHGGI-XZOQPEGZSA-N
XLogP5.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one with MolForge

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Related Compounds

(3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-N-cyclopropyl-6-phenylpiperidine-3-carboxamide
CID 52942011
(3R,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-N-cyclopropyl-6-phenylpiperidine-3-carboxamide
CID 52942012
2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-N,N-dimethyl-acetamide
CID 11755227
1-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-ethanone
CID 44307089
2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-2-oxo-acetamide
CID 44307118
3-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-propionamide
CID 44307181
4-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-butyramide
CID 44307417
(3,4-Difluorophenyl)(2-phenylmorpholino)methanone
CID 16894709
2-(4-Fluorophenyl)-1-(2-(4-(trifluoromethyl)phenyl)morpholino)ethanone
CID 56763872
(2S)-1-(tert-Butoxycarbonyl)-2beta-phenyl-3beta-[3,5-bis(trifluoromethyl)benzyloxy]piperidine
CID 16038143
cis-3-((3,5-Bis(trifluoromethyl)phenyl)methyloxy)-6-keto-2-phenyl piperidine
CID 86749049
2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-diethylacetamide
CID 44210814

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one?
The IUPAC name of 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one (CID 59551971) is 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one is O=C1CCCCN1[C@@H](c1ccc(F)cc1)[C@H](OCC1CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one?
The InChIKey is HHTLPZGNUSHGGI-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H24F3NO2/c24-18-9-6-16(7-10-18)22(27-12-2-1-3-21(27)28)23(29-14-15-4-5-15)17-8-11-19(25)20(26)13-17/h6-11,13,15,22-23H,1-5,12,14H2/t22-,23+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one?
1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one has a molecular weight of 403.44 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]piperidin-2-one is sourced from PubChem (CID 59551971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).