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

C13H25N3O2 — CID 66238294

IUPAC4-amino-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide
SMILESCCN1CCC(CNC(=O)C2COCC2N)CC1
InChIInChI=1S/C13H25N3O2/c1-2-16-5-3-10(4-6-16)7-15-13(17)11-8-18-9-12(11)14/h10-12H,2-9,14H2,1H3,(H,15,17)
InChIKeyAYYMUDNGMLJISQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.19
Rot. Bonds4

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

4-amino-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 66238294) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide
PubChem CID66238294
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-amino-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide
SMILESCCN1CCC(CNC(=O)C2COCC2N)CC1
InChIInChI=1S/C13H25N3O2/c1-2-16-5-3-10(4-6-16)7-15-13(17)11-8-18-9-12(11)14/h10-12H,2-9,14H2,1H3,(H,15,17)
InChIKeyAYYMUDNGMLJISQ-UHFFFAOYSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.19
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-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide (CID 66238294) is 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide is CCN1CCC(CNC(=O)C2COCC2N)CC1.
What is the InChIKey of 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is AYYMUDNGMLJISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-16-5-3-10(4-6-16)7-15-13(17)11-8-18-9-12(11)14/h10-12H,2-9,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide?
4-amino-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66238294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).