2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone

C25H27ClF2N2O4 — CID 110080741

IUPAC2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccc(F)cc2F)C1)N1CCOCC1
InChIInChI=1S/C25H27ClF2N2O4/c26-18-2-5-20(6-3-18)34-17-25(15-23(31)29-10-12-33-13-11-29)8-1-9-30(16-25)24(32)21-7-4-19(27)14-22(21)28/h2-7,14H,1,8-13,15-17H2
InChIKeyPXKYXCFNIRBXBV-UHFFFAOYSA-N
MW492.95 g/mol
LogP4.17
Rot. Bonds6

About 2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone

2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone (PubChem CID 110080741) has the molecular formula C25H27ClF2N2O4 and a molecular weight of 492.95 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone
PubChem CID110080741
Molecular FormulaC25H27ClF2N2O4
Molecular Weight492.95 g/mol
Exact Mass492.16
IUPAC Name2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccc(F)cc2F)C1)N1CCOCC1
InChIInChI=1S/C25H27ClF2N2O4/c26-18-2-5-20(6-3-18)34-17-25(15-23(31)29-10-12-33-13-11-29)8-1-9-30(16-25)24(32)21-7-4-19(27)14-22(21)28/h2-7,14H,1,8-13,15-17H2
InChIKeyPXKYXCFNIRBXBV-UHFFFAOYSA-N
XLogP4.17
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.95
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[1-(2,4-difluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080289
2-[(3S)-1-(2-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124978735
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080728
2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080774
2-[(3R)-1-benzoyl-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124946304
2-[(3S)-1-[2-(4-chlorophenoxy)acetyl]-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124990225
2-[(3R)-3-[(4-chlorophenoxy)methyl]-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124953199
2-[3-[(4-chlorophenoxy)methyl]-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080756
2-(3-chlorophenyl)-1-[3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]ethanone
CID 110080328
2-[(3R)-1-(2-fluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 124992143
2-[1-(2-chlorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 110080234
2-[(3R)-3-[(4-chlorophenoxy)methyl]-1-(2-fluorobenzoyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 125025759

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone (CID 110080741) is 2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone is O=C(CC1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccc(F)cc2F)C1)N1CCOCC1.
What is the InChIKey of 2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone?
The InChIKey is PXKYXCFNIRBXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF2N2O4/c26-18-2-5-20(6-3-18)34-17-25(15-23(31)29-10-12-33-13-11-29)8-1-9-30(16-25)24(32)21-7-4-19(27)14-22(21)28/h2-7,14H,1,8-13,15-17H2.
What are the key properties of 2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone?
2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 492.95 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 110080741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).