2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone

C18H23F2NO — CID 25452784

IUPAC2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCC[C@H](CCc2c(F)cccc2F)C1
InChIInChI=1S/C18H23F2NO/c19-16-4-1-5-17(20)15(16)9-8-14-3-2-10-21(12-14)18(22)11-13-6-7-13/h1,4-5,13-14H,2-3,6-12H2/t14-/m1/s1
InChIKeyJLTHSIBSEPVYEK-CQSZACIVSA-N
MW307.38 g/mol
LogP3.94
Rot. Bonds5

About 2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone

2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone (PubChem CID 25452784) has the molecular formula C18H23F2NO and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
PubChem CID25452784
Molecular FormulaC18H23F2NO
Molecular Weight307.38 g/mol
Exact Mass307.17
IUPAC Name2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCC[C@H](CCc2c(F)cccc2F)C1
InChIInChI=1S/C18H23F2NO/c19-16-4-1-5-17(20)15(16)9-8-14-3-2-10-21(12-14)18(22)11-13-6-7-13/h1,4-5,13-14H,2-3,6-12H2/t14-/m1/s1
InChIKeyJLTHSIBSEPVYEK-CQSZACIVSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95548860
1-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 45237227
methyl 5-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate
CID 42508162
4-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 95532286
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42395196
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56919166
N-[3-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 95551093
1-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42593959
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 56872892
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone;hydrochloride
CID 120727493
3-[2-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-2H-oxadiazol-3-ium-5-one
CID 42245393
2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide
CID 95549350

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone (CID 25452784) is 2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone is O=C(CC1CC1)N1CCC[C@H](CCc2c(F)cccc2F)C1.
What is the InChIKey of 2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is JLTHSIBSEPVYEK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23F2NO/c19-16-4-1-5-17(20)15(16)9-8-14-3-2-10-21(12-14)18(22)11-13-6-7-13/h1,4-5,13-14H,2-3,6-12H2/t14-/m1/s1.
What are the key properties of 2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone?
2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 307.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 25452784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).