2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide

C22H24F2N2O3 — CID 55590459

IUPAC2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCC(C(O)c2ccccc2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C22H24F2N2O3/c23-17-6-7-18(19(24)14-17)22(29)25-11-8-20(27)26-12-9-16(10-13-26)21(28)15-4-2-1-3-5-15/h1-7,14,16,21,28H,8-13H2,(H,25,29)
InChIKeyUOPMVPQCZUJRTF-UHFFFAOYSA-N
MW402.44 g/mol
LogP3.06
Rot. Bonds6

About 2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide

2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide (PubChem CID 55590459) has the molecular formula C22H24F2N2O3 and a molecular weight of 402.44 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide
PubChem CID55590459
Molecular FormulaC22H24F2N2O3
Molecular Weight402.44 g/mol
Exact Mass402.18
IUPAC Name2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCC(C(O)c2ccccc2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C22H24F2N2O3/c23-17-6-7-18(19(24)14-17)22(29)25-11-8-20(27)26-12-9-16(10-13-26)21(28)15-4-2-1-3-5-15/h1-7,14,16,21,28H,8-13H2,(H,25,29)
InChIKeyUOPMVPQCZUJRTF-UHFFFAOYSA-N
XLogP3.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide (CID 55590459) is 2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide is O=C(NCCC(=O)N1CCC(C(O)c2ccccc2)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is UOPMVPQCZUJRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3/c23-17-6-7-18(19(24)14-17)22(29)25-11-8-20(27)26-12-9-16(10-13-26)21(28)15-4-2-1-3-5-15/h1-7,14,16,21,28H,8-13H2,(H,25,29).
What are the key properties of 2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 402.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 55590459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).