1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide

C12H18N2O2 — CID 45171762

IUPAC1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C12H18N2O2/c1-2-7-13-12(16)9-3-6-11(15)14(8-9)10-4-5-10/h2,9-10H,1,3-8H2,(H,13,16)
InChIKeyNOBMAMJGIRVNLW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.69
Rot. Bonds4

About 1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide

1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 45171762) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID45171762
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C12H18N2O2/c1-2-7-13-12(16)9-3-6-11(15)14(8-9)10-4-5-10/h2,9-10H,1,3-8H2,(H,13,16)
InChIKeyNOBMAMJGIRVNLW-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide (CID 45171762) is 1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is NOBMAMJGIRVNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-7-13-12(16)9-3-6-11(15)14(8-9)10-4-5-10/h2,9-10H,1,3-8H2,(H,13,16).
What are the key properties of 1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide?
1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 45171762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).