N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide

C23H30N2O2 — CID 55988474

IUPACN-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide
SMILESCCOC1CCN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-3-27-21-14-16-25(17-15-21)18-22(26)24(2)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21,23H,3,14-18H2,1-2H3
InChIKeySHQQCWRUXOOSNL-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.74
Rot. Bonds7

About N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide

N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide (PubChem CID 55988474) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide
PubChem CID55988474
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC NameN-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide
SMILESCCOC1CCN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-3-27-21-14-16-25(17-15-21)18-22(26)24(2)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21,23H,3,14-18H2,1-2H3
InChIKeySHQQCWRUXOOSNL-UHFFFAOYSA-N
XLogP3.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 51629082
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
2-(4-ethoxypiperidin-1-yl)-N-phenylacetamide
CID 47358518
2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide
CID 55494313
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 115969261
2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345726
2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 55988345
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659
N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(N-methylanilino)acetamide
CID 21074159
N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8918958
N-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 94424196
1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61216135

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide (CID 55988474) is N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide is CCOC1CCN(CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide?
The InChIKey is SHQQCWRUXOOSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-27-21-14-16-25(17-15-21)18-22(26)24(2)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21,23H,3,14-18H2,1-2H3.
What are the key properties of N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide?
N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide has a molecular weight of 366.50 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 55988474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).