1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide

C12H22N2O3 — CID 141109300

IUPAC1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC2CCOC(O)C2)CC1
InChIInChI=1S/C12H22N2O3/c13-12(16)10-1-4-14(5-2-10)8-9-3-6-17-11(15)7-9/h9-11,15H,1-8H2,(H2,13,16)
InChIKeyWDSYGWMRKSIHKG-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.07
Rot. Bonds3

About 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide

1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 141109300) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide
PubChem CID141109300
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC2CCOC(O)C2)CC1
InChIInChI=1S/C12H22N2O3/c13-12(16)10-1-4-14(5-2-10)8-9-3-6-17-11(15)7-9/h9-11,15H,1-8H2,(H2,13,16)
InChIKeyWDSYGWMRKSIHKG-UHFFFAOYSA-N
XLogP-0.07
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide (CID 141109300) is 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC2CCOC(O)C2)CC1.
What is the InChIKey of 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WDSYGWMRKSIHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-12(16)10-1-4-14(5-2-10)8-9-3-6-17-11(15)7-9/h9-11,15H,1-8H2,(H2,13,16).
What are the key properties of 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide?
1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyoxan-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 141109300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).