N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

C23H27F3N2O2 — CID 22643512

IUPACN-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C2CCN(C)CC2)cc1
InChIInChI=1S/C23H27F3N2O2/c1-27-13-11-20(12-14-27)28(16-18-5-9-21(30-2)10-6-18)22(29)15-17-3-7-19(8-4-17)23(24,25)26/h3-10,20H,11-16H2,1-2H3
InChIKeySYBIVMMYWUDKOQ-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.38
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 22643512) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID22643512
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C2CCN(C)CC2)cc1
InChIInChI=1S/C23H27F3N2O2/c1-27-13-11-20(12-14-27)28(16-18-5-9-21(30-2)10-6-18)22(29)15-17-3-7-19(8-4-17)23(24,25)26/h3-10,20H,11-16H2,1-2H3
InChIKeySYBIVMMYWUDKOQ-UHFFFAOYSA-N
XLogP4.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Snc 80
CID 123924
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
AC-90179
CID 9799308
GT-0198
CID 71584823
(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
CID 99794612
N-[1-(3-Methoxy-phenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-2-(4-trifluoromethyl-phenyl)-acetamide
CID 10207990
(6Z)-1-benzoyl-4-(4-fluorobenzyl)-5-(4-methoxyphenyl)-5,8-dihydro-2H-1,4-diazocin-3-one
CID 16746512
(+/-)-threo-N-(4-Methoxybenzyl)methylphenidate
CID 52942312
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425
Cambridge id 7035693
CID 1075488
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
CID 2729533
(4-Fluoro-phenyl)-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-methanone
CID 24746982

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 22643512) is N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is COc1ccc(CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C2CCN(C)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SYBIVMMYWUDKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c1-27-13-11-20(12-14-27)28(16-18-5-9-21(30-2)10-6-18)22(29)15-17-3-7-19(8-4-17)23(24,25)26/h3-10,20H,11-16H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 420.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 22643512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).