3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide

C19H28N2O2 — CID 146142260

IUPAC3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCCN(CCNC(=O)c2cccc(C3(C)CCO3)c2)C1
InChIInChI=1S/C19H28N2O2/c1-15-5-4-10-21(14-15)11-9-20-18(22)16-6-3-7-17(13-16)19(2)8-12-23-19/h3,6-7,13,15H,4-5,8-12,14H2,1-2H3,(H,20,22)
InChIKeyYDFSINKVGKVFMP-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.78
Rot. Bonds5

About 3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide

3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide (PubChem CID 146142260) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
PubChem CID146142260
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCCN(CCNC(=O)c2cccc(C3(C)CCO3)c2)C1
InChIInChI=1S/C19H28N2O2/c1-15-5-4-10-21(14-15)11-9-20-18(22)16-6-3-7-17(13-16)19(2)8-12-23-19/h3,6-7,13,15H,4-5,8-12,14H2,1-2H3,(H,20,22)
InChIKeyYDFSINKVGKVFMP-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide (CID 146142260) is 3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide is CC1CCCN(CCNC(=O)c2cccc(C3(C)CCO3)c2)C1.
What is the InChIKey of 3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is YDFSINKVGKVFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-5-4-10-21(14-15)11-9-20-18(22)16-6-3-7-17(13-16)19(2)8-12-23-19/h3,6-7,13,15H,4-5,8-12,14H2,1-2H3,(H,20,22).
What are the key properties of 3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide?
3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 316.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxetan-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 146142260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).