[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

C26H33FN2O5 — CID 90616897

IUPAC[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c(OC)c1OC
InChIInChI=1S/C26H33FN2O5/c1-31-23-9-8-20(24(32-2)25(23)33-3)26(30)29-14-10-18(11-15-29)28-16-12-19(13-17-28)34-22-7-5-4-6-21(22)27/h4-9,18-19H,10-17H2,1-3H3
InChIKeyUBPVXZOESCZMBC-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.00
Rot. Bonds7

About [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 90616897) has the molecular formula C26H33FN2O5 and a molecular weight of 472.56 g/mol. Its IUPAC name is [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
PubChem CID90616897
Molecular FormulaC26H33FN2O5
Molecular Weight472.56 g/mol
Exact Mass472.24
IUPAC Name[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c(OC)c1OC
InChIInChI=1S/C26H33FN2O5/c1-31-23-9-8-20(24(32-2)25(23)33-3)26(30)29-14-10-18(11-15-29)28-16-12-19(13-17-28)34-22-7-5-4-6-21(22)27/h4-9,18-19H,10-17H2,1-3H3
InChIKeyUBPVXZOESCZMBC-UHFFFAOYSA-N
XLogP4.00
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone with MolForge

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Related Compounds

(4-chlorophenyl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90616739
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 90616906
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90616875
N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide
CID 90616960
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90616711
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
4-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 90616963
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 60559089
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90639283
3-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160384
(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560263

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (CID 90616897) is [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c(OC)c1OC.
What is the InChIKey of [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is UBPVXZOESCZMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O5/c1-31-23-9-8-20(24(32-2)25(23)33-3)26(30)29-14-10-18(11-15-29)28-16-12-19(13-17-28)34-22-7-5-4-6-21(22)27/h4-9,18-19H,10-17H2,1-3H3.
What are the key properties of [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 472.56 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 90616897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).