2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide

C15H20N2O3 — CID 7283918

IUPAC2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
SMILESC[C@H]1CCCN(C(=O)COc2ccccc2C(N)=O)C1
InChIInChI=1S/C15H20N2O3/c1-11-5-4-8-17(9-11)14(18)10-20-13-7-3-2-6-12(13)15(16)19/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,16,19)/t11-/m0/s1
InChIKeyDDZCDRUVOUFPSV-NSHDSACASA-N
MW276.34 g/mol
LogP1.42
Rot. Bonds4

About 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide

2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 7283918) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
PubChem CID7283918
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
SMILESC[C@H]1CCCN(C(=O)COc2ccccc2C(N)=O)C1
InChIInChI=1S/C15H20N2O3/c1-11-5-4-8-17(9-11)14(18)10-20-13-7-3-2-6-12(13)15(16)19/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,16,19)/t11-/m0/s1
InChIKeyDDZCDRUVOUFPSV-NSHDSACASA-N
XLogP1.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide (CID 7283918) is 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide is C[C@H]1CCCN(C(=O)COc2ccccc2C(N)=O)C1.
What is the InChIKey of 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is DDZCDRUVOUFPSV-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-5-4-8-17(9-11)14(18)10-20-13-7-3-2-6-12(13)15(16)19/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,16,19)/t11-/m0/s1.
What are the key properties of 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide?
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 276.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 7283918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).