(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone

C20H22FNO3 — CID 93223601

IUPAC(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
SMILESCOc1cccc(CO[C@H]2CCCN(C(=O)c3ccccc3F)C2)c1
InChIInChI=1S/C20H22FNO3/c1-24-16-7-4-6-15(12-16)14-25-17-8-5-11-22(13-17)20(23)18-9-2-3-10-19(18)21/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3/t17-/m0/s1
InChIKeyLSAYDQGINVEOJI-KRWDZBQOSA-N
MW343.40 g/mol
LogP3.66
Rot. Bonds5

About (2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone

(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone (PubChem CID 93223601) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is (2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
PubChem CID93223601
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
SMILESCOc1cccc(CO[C@H]2CCCN(C(=O)c3ccccc3F)C2)c1
InChIInChI=1S/C20H22FNO3/c1-24-16-7-4-6-15(12-16)14-25-17-8-5-11-22(13-17)20(23)18-9-2-3-10-19(18)21/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3/t17-/m0/s1
InChIKeyLSAYDQGINVEOJI-KRWDZBQOSA-N
XLogP3.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-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

[3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 46028899
(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844111
1-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpropan-1-one
CID 42844172
cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 46028918
(3-bromophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 93223609
(2-fluorophenyl)-[3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 42844185
2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone
CID 93223599
[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 93223576
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223391
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone (CID 93223601) is (2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone is COc1cccc(CO[C@H]2CCCN(C(=O)c3ccccc3F)C2)c1.
What is the InChIKey of (2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone?
The InChIKey is LSAYDQGINVEOJI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-24-16-7-4-6-15(12-16)14-25-17-8-5-11-22(13-17)20(23)18-9-2-3-10-19(18)21/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone?
(2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone has a molecular weight of 343.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 93223601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).