N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide

C27H26F2N2O3 — CID 143782056

IUPACN-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2(O)CCN(Cc3ccc(C(=O)c4ccc(F)c(F)c4)cc3)CC2)c1
InChIInChI=1S/C27H26F2N2O3/c1-18(32)30-23-4-2-3-22(16-23)27(34)11-13-31(14-12-27)17-19-5-7-20(8-6-19)26(33)21-9-10-24(28)25(29)15-21/h2-10,15-16,34H,11-14,17H2,1H3,(H,30,32)
InChIKeyFQLROVCYSPTQNU-UHFFFAOYSA-N
MW464.51 g/mol
LogP4.64
Rot. Bonds6

About N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide

N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide (PubChem CID 143782056) has the molecular formula C27H26F2N2O3 and a molecular weight of 464.51 g/mol. Its IUPAC name is N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide
PubChem CID143782056
Molecular FormulaC27H26F2N2O3
Molecular Weight464.51 g/mol
Exact Mass464.19
IUPAC NameN-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2(O)CCN(Cc3ccc(C(=O)c4ccc(F)c(F)c4)cc3)CC2)c1
InChIInChI=1S/C27H26F2N2O3/c1-18(32)30-23-4-2-3-22(16-23)27(34)11-13-31(14-12-27)17-19-5-7-20(8-6-19)26(33)21-9-10-24(28)25(29)15-21/h2-10,15-16,34H,11-14,17H2,1H3,(H,30,32)
InChIKeyFQLROVCYSPTQNU-UHFFFAOYSA-N
XLogP4.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]-3,4-dihydropyridin-6-yl]acetamide
CID 70820569
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260
1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983475
4-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 645747
N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 75494688
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870
N-[3-[(2S,4S,5R,6R)-4-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]acetamide
CID 6686588
N-(4-benzoylphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
CID 22448043
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724477
N-[1-benzyl-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 68830269
4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol
CID 66764282

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide (CID 143782056) is N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2(O)CCN(Cc3ccc(C(=O)c4ccc(F)c(F)c4)cc3)CC2)c1.
What is the InChIKey of N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide?
The InChIKey is FQLROVCYSPTQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N2O3/c1-18(32)30-23-4-2-3-22(16-23)27(34)11-13-31(14-12-27)17-19-5-7-20(8-6-19)26(33)21-9-10-24(28)25(29)15-21/h2-10,15-16,34H,11-14,17H2,1H3,(H,30,32).
What are the key properties of N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide?
N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide has a molecular weight of 464.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[4-(3,4-difluorobenzoyl)phenyl]methyl]-4-hydroxypiperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 143782056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).