N-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide

C12H19N3O2 — CID 55247491

IUPACN-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide
SMILESN#CCN1CCC(NC(=O)C2CCOC2)CC1
InChIInChI=1S/C12H19N3O2/c13-4-7-15-5-1-11(2-6-15)14-12(16)10-3-8-17-9-10/h10-11H,1-3,5-9H2,(H,14,16)
InChIKeyAOHCXXNCWPGYPT-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.13
Rot. Bonds3

About N-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide

N-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 55247491) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide
PubChem CID55247491
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide
SMILESN#CCN1CCC(NC(=O)C2CCOC2)CC1
InChIInChI=1S/C12H19N3O2/c13-4-7-15-5-1-11(2-6-15)14-12(16)10-3-8-17-9-10/h10-11H,1-3,5-9H2,(H,14,16)
InChIKeyAOHCXXNCWPGYPT-UHFFFAOYSA-N
XLogP0.13
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide (CID 55247491) is N-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide is N#CCN1CCC(NC(=O)C2CCOC2)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is AOHCXXNCWPGYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-4-7-15-5-1-11(2-6-15)14-12(16)10-3-8-17-9-10/h10-11H,1-3,5-9H2,(H,14,16).
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide?
N-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 55247491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).