[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone

C21H24FNO3 — CID 53037993

IUPAC[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(CCOc3cccc(F)c3)CC2)c1
InChIInChI=1S/C21H24FNO3/c1-25-19-6-2-4-17(14-19)21(24)23-11-8-16(9-12-23)10-13-26-20-7-3-5-18(22)15-20/h2-7,14-16H,8-13H2,1H3
InChIKeyNZXKRFPKGKYHRW-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.16
Rot. Bonds6

About [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone

[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 53037993) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID53037993
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(CCOc3cccc(F)c3)CC2)c1
InChIInChI=1S/C21H24FNO3/c1-25-19-6-2-4-17(14-19)21(24)23-11-8-16(9-12-23)10-13-26-20-7-3-5-18(22)15-20/h2-7,14-16H,8-13H2,1H3
InChIKeyNZXKRFPKGKYHRW-UHFFFAOYSA-N
XLogP4.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 53038002
(6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 53150756
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
(3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone
CID 53150992
[4-[(3,5-dimethoxyphenyl)methoxymethyl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 71784802
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 93198154
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 114802085
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(3-methoxypropoxy)phenyl]methanone
CID 119484172
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone (CID 53037993) is [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCC(CCOc3cccc(F)c3)CC2)c1.
What is the InChIKey of [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is NZXKRFPKGKYHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-25-19-6-2-4-17(14-19)21(24)23-11-8-16(9-12-23)10-13-26-20-7-3-5-18(22)15-20/h2-7,14-16H,8-13H2,1H3.
What are the key properties of [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 357.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 53037993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).