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

C14H27N3O2 — CID 66237682

IUPAC4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide
SMILESCC1CCN(CCCNC(=O)C2COCC2N)CC1
InChIInChI=1S/C14H27N3O2/c1-11-3-7-17(8-4-11)6-2-5-16-14(18)12-9-19-10-13(12)15/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyJCCICYXAVSQTFP-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.20
Rot. Bonds5

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

4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide (PubChem CID 66237682) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide
PubChem CID66237682
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide
SMILESCC1CCN(CCCNC(=O)C2COCC2N)CC1
InChIInChI=1S/C14H27N3O2/c1-11-3-7-17(8-4-11)6-2-5-16-14(18)12-9-19-10-13(12)15/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyJCCICYXAVSQTFP-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide (CID 66237682) is 4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide is CC1CCN(CCCNC(=O)C2COCC2N)CC1.
What is the InChIKey of 4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide?
The InChIKey is JCCICYXAVSQTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11-3-7-17(8-4-11)6-2-5-16-14(18)12-9-19-10-13(12)15/h11-13H,2-10,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide?
4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-3-carboxamide is sourced from PubChem (CID 66237682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).