(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one

C22H24FNO4 — CID 25473593

IUPAC(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H24FNO4/c1-15(28-20-9-5-18(23)6-10-20)22(26)24-13-11-17(12-14-24)21(25)16-3-7-19(27-2)8-4-16/h3-10,15,17H,11-14H2,1-2H3/t15-/m1/s1
InChIKeyCIVRJSZWKXXJED-OAHLLOKOSA-N
MW385.44 g/mol
LogP3.72
Rot. Bonds6

About (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one

(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one (PubChem CID 25473593) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
PubChem CID25473593
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Name(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H24FNO4/c1-15(28-20-9-5-18(23)6-10-20)22(26)24-13-11-17(12-14-24)21(25)16-3-7-19(27-2)8-4-16/h3-10,15,17H,11-14H2,1-2H3/t15-/m1/s1
InChIKeyCIVRJSZWKXXJED-OAHLLOKOSA-N
XLogP3.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119563255
1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499825
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8933880
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 167920139
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415
1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 55130764
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 95148539
2-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178547
4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 25473091

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one (CID 25473593) is (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one is COc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one?
The InChIKey is CIVRJSZWKXXJED-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24FNO4/c1-15(28-20-9-5-18(23)6-10-20)22(26)24-13-11-17(12-14-24)21(25)16-3-7-19(27-2)8-4-16/h3-10,15,17H,11-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one?
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one has a molecular weight of 385.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 25473593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).