[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone

C18H19F2NO2 — CID 42191853

IUPAC[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H19F2NO2/c19-16-6-5-13(10-17(16)20)3-4-14-2-1-8-21(11-14)18(22)15-7-9-23-12-15/h5-7,9-10,12,14H,1-4,8,11H2/t14-/m1/s1
InChIKeyPTQNTFZNGIVREW-CQSZACIVSA-N
MW319.35 g/mol
LogP4.04
Rot. Bonds4

About [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone

[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 42191853) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID42191853
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H19F2NO2/c19-16-6-5-13(10-17(16)20)3-4-14-2-1-8-21(11-14)18(22)15-7-9-23-12-15/h5-7,9-10,12,14H,1-4,8,11H2/t14-/m1/s1
InChIKeyPTQNTFZNGIVREW-CQSZACIVSA-N
XLogP4.04
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone 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

[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 95553493
[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95554467
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25455738
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 42298601
[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 95545441
1-[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56870699
5-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 95502942
1-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 45230163
1-[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]pent-4-en-1-one
CID 45226907
1-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 95554785
5-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95476499
2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 95558043

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone (CID 42191853) is [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1.
What is the InChIKey of [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is PTQNTFZNGIVREW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19F2NO2/c19-16-6-5-13(10-17(16)20)3-4-14-2-1-8-21(11-14)18(22)15-7-9-23-12-15/h5-7,9-10,12,14H,1-4,8,11H2/t14-/m1/s1.
What are the key properties of [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone?
[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 319.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 42191853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).