2-[(3S)-piperidin-3-yl]oxane-4-carboxamide

C11H20N2O2 — CID 162703263

IUPAC2-[(3S)-piperidin-3-yl]oxane-4-carboxamide
SMILESNC(=O)C1CCOC([C@H]2CCCNC2)C1
InChIInChI=1S/C11H20N2O2/c12-11(14)8-3-5-15-10(6-8)9-2-1-4-13-7-9/h8-10,13H,1-7H2,(H2,12,14)/t8?,9-,10?/m0/s1
InChIKeyORJNIJXJFWGROQ-KYHHOPLUSA-N
MW212.29 g/mol
LogP0.27
Rot. Bonds2

About 2-[(3S)-piperidin-3-yl]oxane-4-carboxamide

2-[(3S)-piperidin-3-yl]oxane-4-carboxamide (PubChem CID 162703263) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(3S)-piperidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name2-[(3S)-piperidin-3-yl]oxane-4-carboxamide
PubChem CID162703263
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[(3S)-piperidin-3-yl]oxane-4-carboxamide
SMILESNC(=O)C1CCOC([C@H]2CCCNC2)C1
InChIInChI=1S/C11H20N2O2/c12-11(14)8-3-5-15-10(6-8)9-2-1-4-13-7-9/h8-10,13H,1-7H2,(H2,12,14)/t8?,9-,10?/m0/s1
InChIKeyORJNIJXJFWGROQ-KYHHOPLUSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-piperidin-3-yl]oxane-4-carboxamide?
The IUPAC name of 2-[(3S)-piperidin-3-yl]oxane-4-carboxamide (CID 162703263) is 2-[(3S)-piperidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for 2-[(3S)-piperidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for 2-[(3S)-piperidin-3-yl]oxane-4-carboxamide is NC(=O)C1CCOC([C@H]2CCCNC2)C1.
What is the InChIKey of 2-[(3S)-piperidin-3-yl]oxane-4-carboxamide?
The InChIKey is ORJNIJXJFWGROQ-KYHHOPLUSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-11(14)8-3-5-15-10(6-8)9-2-1-4-13-7-9/h8-10,13H,1-7H2,(H2,12,14)/t8?,9-,10?/m0/s1.
What are the key properties of 2-[(3S)-piperidin-3-yl]oxane-4-carboxamide?
2-[(3S)-piperidin-3-yl]oxane-4-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-piperidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 162703263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).