3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one

C26H37FN2O4 — CID 155990314

IUPAC3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(COc2ccc(F)cc2)(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C26H37FN2O4/c27-22-6-8-23(9-7-22)33-20-26(19-25(31)29-15-17-32-18-16-29)11-13-28(14-12-26)24(30)10-5-21-3-1-2-4-21/h6-9,21H,1-5,10-20H2
InChIKeyVCHZGLLBMSUGMW-UHFFFAOYSA-N
MW460.59 g/mol
LogP4.03
Rot. Bonds8

About 3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one (PubChem CID 155990314) has the molecular formula C26H37FN2O4 and a molecular weight of 460.59 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one
PubChem CID155990314
Molecular FormulaC26H37FN2O4
Molecular Weight460.59 g/mol
Exact Mass460.27
IUPAC Name3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(COc2ccc(F)cc2)(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C26H37FN2O4/c27-22-6-8-23(9-7-22)33-20-26(19-25(31)29-15-17-32-18-16-29)11-13-28(14-12-26)24(30)10-5-21-3-1-2-4-21/h6-9,21H,1-5,10-20H2
InChIKeyVCHZGLLBMSUGMW-UHFFFAOYSA-N
XLogP4.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-fluorophenoxy)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]hexan-1-one
CID 110081062
1-[3-[(3S)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 125017416
2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110080455
2-[4-[(4-chlorophenoxy)methyl]-1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110080381
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
2-[1-(2,4-difluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080289
1-[(3S)-3-[(4-chlorophenoxy)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 125005724
2-[(3S)-1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124977004
2-[(3R)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124953199
1-[(3R)-3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 124944454
[1-(4-fluorobenzoyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl acetate
CID 155997626
1-[4-[(4-chlorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110080420

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one (CID 155990314) is 3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC(COc2ccc(F)cc2)(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one?
The InChIKey is VCHZGLLBMSUGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN2O4/c27-22-6-8-23(9-7-22)33-20-26(19-25(31)29-15-17-32-18-16-29)11-13-28(14-12-26)24(30)10-5-21-3-1-2-4-21/h6-9,21H,1-5,10-20H2.
What are the key properties of 3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one has a molecular weight of 460.59 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[(4-fluorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 155990314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).