2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide

C23H28F2N2O2 — CID 72878220

IUPAC2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
SMILESCN1CCC(CN(CCc2ccccc2)C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C23H28F2N2O2/c1-26-14-11-19(12-15-26)17-27(16-13-18-7-3-2-4-8-18)22(28)20-9-5-6-10-21(20)29-23(24)25/h2-10,19,23H,11-17H2,1H3
InChIKeyUYOKXWOLNRAJAR-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.31
Rot. Bonds8

About 2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide

2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide (PubChem CID 72878220) has the molecular formula C23H28F2N2O2 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
PubChem CID72878220
Molecular FormulaC23H28F2N2O2
Molecular Weight402.49 g/mol
Exact Mass402.21
IUPAC Name2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
SMILESCN1CCC(CN(CCc2ccccc2)C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C23H28F2N2O2/c1-26-14-11-19(12-15-26)17-27(16-13-18-7-3-2-4-8-18)22(28)20-9-5-6-10-21(20)29-23(24)25/h2-10,19,23H,11-17H2,1H3
InChIKeyUYOKXWOLNRAJAR-UHFFFAOYSA-N
XLogP4.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
CID 42098691
2-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 45211873
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-1,3-oxazole-5-carboxamide
CID 25375909
5-(3-hydroxy-3-methylbut-1-ynyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 42241109
2,4-dimethoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 45210338
N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide
CID 134028335
(3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 25456727
(4S)-N-[(1-methylpiperidin-4-yl)methyl]-2,7-dioxo-N-(2-phenylethyl)-1,3-diazepane-4-carboxamide
CID 97277261
N-cyclopropyl-2-(difluoromethoxy)-N-(2-hydroxyethyl)benzamide
CID 43576922
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
(9S)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 97271522
2-methoxy-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-N-(2-phenylethyl)acetamide
CID 42152603

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide (CID 72878220) is 2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide is CN1CCC(CN(CCc2ccccc2)C(=O)c2ccccc2OC(F)F)CC1.
What is the InChIKey of 2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide?
The InChIKey is UYOKXWOLNRAJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O2/c1-26-14-11-19(12-15-26)17-27(16-13-18-7-3-2-4-8-18)22(28)20-9-5-6-10-21(20)29-23(24)25/h2-10,19,23H,11-17H2,1H3.
What are the key properties of 2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide?
2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 72878220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).