N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide

C25H25F2N3O — CID 92615559

IUPACN-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccccc1F
InChIInChI=1S/C25H25F2N3O/c26-21-10-7-18(8-11-21)14-19-9-12-23(28-15-19)20-4-3-13-30(16-20)17-25(31)29-24-6-2-1-5-22(24)27/h1-2,5-12,15,20H,3-4,13-14,16-17H2,(H,29,31)/t20-/m0/s1
InChIKeyIBLOZMFRZKLOKH-FQEVSTJZSA-N
MW421.49 g/mol
LogP4.77
Rot. Bonds6

About N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide

N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 92615559) has the molecular formula C25H25F2N3O and a molecular weight of 421.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide
PubChem CID92615559
Molecular FormulaC25H25F2N3O
Molecular Weight421.49 g/mol
Exact Mass421.20
IUPAC NameN-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccccc1F
InChIInChI=1S/C25H25F2N3O/c26-21-10-7-18(8-11-21)14-19-9-12-23(28-15-19)20-4-3-13-30(16-20)17-25(31)29-24-6-2-1-5-22(24)27/h1-2,5-12,15,20H,3-4,13-14,16-17H2,(H,29,31)/t20-/m0/s1
InChIKeyIBLOZMFRZKLOKH-FQEVSTJZSA-N
XLogP4.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]acetamide
CID 127250139
N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
CID 110093298
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110264021
2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide
CID 92615698
N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide
CID 136540145
2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 110264753
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
N-(2-fluorophenyl)-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]acetamide
CID 163357192
N-(2-fluorophenyl)-2-[(3R)-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide
CID 92625638

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide (CID 92615559) is N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide is O=C(CN1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide?
The InChIKey is IBLOZMFRZKLOKH-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H25F2N3O/c26-21-10-7-18(8-11-21)14-19-9-12-23(28-15-19)20-4-3-13-30(16-20)17-25(31)29-24-6-2-1-5-22(24)27/h1-2,5-12,15,20H,3-4,13-14,16-17H2,(H,29,31)/t20-/m0/s1.
What are the key properties of N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 421.49 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 92615559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).