3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide

C17H24N2O2 — CID 165436167

IUPAC3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide
SMILESCc1cc(C(=O)NC2CCOC2)cc(C2CCNCC2)c1
InChIInChI=1S/C17H24N2O2/c1-12-8-14(13-2-5-18-6-3-13)10-15(9-12)17(20)19-16-4-7-21-11-16/h8-10,13,16,18H,2-7,11H2,1H3,(H,19,20)
InChIKeyOOOVTEUOYXPXMQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.98
Rot. Bonds3

About 3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide

3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide (PubChem CID 165436167) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide
PubChem CID165436167
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide
SMILESCc1cc(C(=O)NC2CCOC2)cc(C2CCNCC2)c1
InChIInChI=1S/C17H24N2O2/c1-12-8-14(13-2-5-18-6-3-13)10-15(9-12)17(20)19-16-4-7-21-11-16/h8-10,13,16,18H,2-7,11H2,1H3,(H,19,20)
InChIKeyOOOVTEUOYXPXMQ-UHFFFAOYSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide?
The IUPAC name of 3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide (CID 165436167) is 3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide.
What is the SMILES notation for 3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide?
The canonical SMILES for 3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide is Cc1cc(C(=O)NC2CCOC2)cc(C2CCNCC2)c1.
What is the InChIKey of 3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide?
The InChIKey is OOOVTEUOYXPXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-8-14(13-2-5-18-6-3-13)10-15(9-12)17(20)19-16-4-7-21-11-16/h8-10,13,16,18H,2-7,11H2,1H3,(H,19,20).
What are the key properties of 3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide?
3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide is sourced from PubChem (CID 165436167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).