4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide

C25H25ClFN3O2 — CID 23108754

IUPAC4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cccnc1C1(O)CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClFN3O2/c26-21-7-5-19(6-8-21)24(31)29-16-20-2-1-13-28-23(20)25(32)11-14-30(15-12-25)17-18-3-9-22(27)10-4-18/h1-10,13,32H,11-12,14-17H2,(H,29,31)
InChIKeyKIDOXPIIAJWOJI-UHFFFAOYSA-N
MW453.95 g/mol
LogP4.29
Rot. Bonds6

About 4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide

4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide (PubChem CID 23108754) has the molecular formula C25H25ClFN3O2 and a molecular weight of 453.95 g/mol. Its IUPAC name is 4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide
PubChem CID23108754
Molecular FormulaC25H25ClFN3O2
Molecular Weight453.95 g/mol
Exact Mass453.16
IUPAC Name4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1cccnc1C1(O)CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClFN3O2/c26-21-7-5-19(6-8-21)24(31)29-16-20-2-1-13-28-23(20)25(32)11-14-30(15-12-25)17-18-3-9-22(27)10-4-18/h1-10,13,32H,11-12,14-17H2,(H,29,31)
InChIKeyKIDOXPIIAJWOJI-UHFFFAOYSA-N
XLogP4.29
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-2-hydroxyethyl)-2-(trifluoromethyl)benzamide
CID 87667694
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 57889158
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[[5-(hydroxymethyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 23625239
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-(hydroxymethyl)pyridin-2-yl)benzamide
CID 46887517
2-chloro-5-(5-fluoropyridin-2-yl)-N-((1-hydroxycycloheptyl)methyl)benzamide
CID 46887518
(3-Chloro-4-fluorophenyl)(4-hydroxy-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 49780603
(3-Chloro-4-fluorophenyl)(3-hydroxy-3-(((5-methylpyridin-2-yl)methylamino)methyl)-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 52948486
3-[(4-Chloro-2-fluorophenyl)-hydroxy-pyridin-3-ylmethyl]benzamide
CID 56682632
3-(4-chlorophenyl)-5-(2-hydroxypropan-2-yl)-N-[(1R)-1-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]ethyl]benzamide
CID 145968160
N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide
CID 59444266
2,3-Dichloro-N-[[4,4-difluoro-1-[6-(1-hydroxy-1-methyl-ethyl)-3-pyridyl]cyclohexyl]methyl]benzamide
CID 86716316
2-Chloro-N-[[4,4-difluoro-1-[6-(1-hydroxy-1-methyl-ethyl)-3-pyridyl]cyclohexyl]methyl]benzamide
CID 86716318

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide (CID 23108754) is 4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide is O=C(NCc1cccnc1C1(O)CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide?
The InChIKey is KIDOXPIIAJWOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O2/c26-21-7-5-19(6-8-21)24(31)29-16-20-2-1-13-28-23(20)25(32)11-14-30(15-12-25)17-18-3-9-22(27)10-4-18/h1-10,13,32H,11-12,14-17H2,(H,29,31).
What are the key properties of 4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide?
4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide has a molecular weight of 453.95 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 23108754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).