4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide

C12H23N3O2 — CID 66238295

IUPAC4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide
SMILESCN1CCCC(CNC(=O)C2COCC2N)C1
InChIInChI=1S/C12H23N3O2/c1-15-4-2-3-9(6-15)5-14-12(16)10-7-17-8-11(10)13/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyMNZMICUODBJFEQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.58
Rot. Bonds3

About 4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide

4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide (PubChem CID 66238295) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide
PubChem CID66238295
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide
SMILESCN1CCCC(CNC(=O)C2COCC2N)C1
InChIInChI=1S/C12H23N3O2/c1-15-4-2-3-9(6-15)5-14-12(16)10-7-17-8-11(10)13/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyMNZMICUODBJFEQ-UHFFFAOYSA-N
XLogP-0.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide (CID 66238295) is 4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide is CN1CCCC(CNC(=O)C2COCC2N)C1.
What is the InChIKey of 4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide?
The InChIKey is MNZMICUODBJFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-15-4-2-3-9(6-15)5-14-12(16)10-7-17-8-11(10)13/h9-11H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide?
4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-methylpiperidin-3-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66238295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).