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

C26H27ClFN3O2 — CID 57499786

IUPAC3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCc1cccnc1C1(O)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H27ClFN3O2/c1-18-22(5-2-6-23(18)27)25(32)30-16-20-4-3-13-29-24(20)26(33)11-14-31(15-12-26)17-19-7-9-21(28)10-8-19/h2-10,13,33H,11-12,14-17H2,1H3,(H,30,32)
InChIKeyPWPHTLXUODYSNZ-UHFFFAOYSA-N
MW467.97 g/mol
LogP4.60
Rot. Bonds6

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

3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide (PubChem CID 57499786) has the molecular formula C26H27ClFN3O2 and a molecular weight of 467.97 g/mol. Its IUPAC name is 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide
PubChem CID57499786
Molecular FormulaC26H27ClFN3O2
Molecular Weight467.97 g/mol
Exact Mass467.18
IUPAC Name3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCc1cccnc1C1(O)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H27ClFN3O2/c1-18-22(5-2-6-23(18)27)25(32)30-16-20-4-3-13-29-24(20)26(33)11-14-31(15-12-26)17-19-7-9-21(28)10-8-19/h2-10,13,33H,11-12,14-17H2,1H3,(H,30,32)
InChIKeyPWPHTLXUODYSNZ-UHFFFAOYSA-N
XLogP4.60
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.97
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
CID 23108813
3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
CID 23108491
3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108849
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108853
2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
CID 23108497
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018
3-chloro-N-[[2-[4-cyano-1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
CID 23108593
N-[[4-(bromomethyl)phenyl]methyl]-3-chloro-2-methylbenzamide
CID 107233695
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide
CID 107096897
2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 25486327

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide?
The IUPAC name of 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide (CID 57499786) is 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)NCc1cccnc1C1(O)CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide?
The InChIKey is PWPHTLXUODYSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN3O2/c1-18-22(5-2-6-23(18)27)25(32)30-16-20-4-3-13-29-24(20)26(33)11-14-31(15-12-26)17-19-7-9-21(28)10-8-19/h2-10,13,33H,11-12,14-17H2,1H3,(H,30,32).
What are the key properties of 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide?
3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide has a molecular weight of 467.97 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 57499786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).