4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide

C20H22F2N2O3 — CID 125448120

IUPAC4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@]1(O)CCCNC1)c1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H22F2N2O3/c21-19(22)27-17-8-6-15(7-9-17)14-2-4-16(5-3-14)18(25)24-13-20(26)10-1-11-23-12-20/h2-9,19,23,26H,1,10-13H2,(H,24,25)/t20-/m1/s1
InChIKeyBNXOXZTTXFJFOY-HXUWFJFHSA-N
MW376.40 g/mol
LogP2.80
Rot. Bonds6

About 4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide

4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide (PubChem CID 125448120) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide
PubChem CID125448120
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@@]1(O)CCCNC1)c1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H22F2N2O3/c21-19(22)27-17-8-6-15(7-9-17)14-2-4-16(5-3-14)18(25)24-13-20(26)10-1-11-23-12-20/h2-9,19,23,26H,1,10-13H2,(H,24,25)/t20-/m1/s1
InChIKeyBNXOXZTTXFJFOY-HXUWFJFHSA-N
XLogP2.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 746156
N-(4-methoxybenzyl)biphenyl-4-carboxamide
CID 710674
GT-0198
CID 71584823
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
4-isopropyl-N-(4-methoxybenzyl)benzamide
CID 897223
(2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 129520967
(3-Hydroxy-3-methylpiperidin-1-yl)(4-((4-methoxyphenyl)ethynyl)phenyl)methanone
CID 60204019
2-(4-Methoxy-3-((4-(trifluoromethyl)benzamido)methyl)benzyl)butanoic acid
CID 10201545
4-((alpha-R)-alpha-((2S,5R)-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide
CID 10573581
N,N-diethyl-4-[(3-methoxyphenyl)(2,5,5-trimethylpiperazin-1-yl)methyl]benzamide
CID 10598391
N,N-Diethyl-4-[(3-methoxy-phenyl)-(2,2,5-trimethyl-piperazin-1-yl)-methyl]-benzamide
CID 10598392
N,N-Diethyl-4-[(4-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10833535

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide (CID 125448120) is 4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide is O=C(NC[C@@]1(O)CCCNC1)c1ccc(-c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide?
The InChIKey is BNXOXZTTXFJFOY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c21-19(22)27-17-8-6-15(7-9-17)14-2-4-16(5-3-14)18(25)24-13-20(26)10-1-11-23-12-20/h2-9,19,23,26H,1,10-13H2,(H,24,25)/t20-/m1/s1.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide?
4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide has a molecular weight of 376.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 125448120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).