1-prop-2-enylpiperidine-2-carboxamide

C9H16N2O — CID 67292976

IUPAC1-prop-2-enylpiperidine-2-carboxamide
SMILESC=CCN1CCCCC1C(N)=O
InChIInChI=1S/C9H16N2O/c1-2-6-11-7-4-3-5-8(11)9(10)12/h2,8H,1,3-7H2,(H2,10,12)
InChIKeyBIOXGDMECCYQJL-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.51
Rot. Bonds3

About 1-prop-2-enylpiperidine-2-carboxamide

1-prop-2-enylpiperidine-2-carboxamide (PubChem CID 67292976) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-prop-2-enylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-prop-2-enylpiperidine-2-carboxamide
PubChem CID67292976
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-prop-2-enylpiperidine-2-carboxamide
SMILESC=CCN1CCCCC1C(N)=O
InChIInChI=1S/C9H16N2O/c1-2-6-11-7-4-3-5-8(11)9(10)12/h2,8H,1,3-7H2,(H2,10,12)
InChIKeyBIOXGDMECCYQJL-UHFFFAOYSA-N
XLogP0.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.51
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-prop-2-enylpiperidine-2-carboxamide?
The IUPAC name of 1-prop-2-enylpiperidine-2-carboxamide (CID 67292976) is 1-prop-2-enylpiperidine-2-carboxamide.
What is the SMILES notation for 1-prop-2-enylpiperidine-2-carboxamide?
The canonical SMILES for 1-prop-2-enylpiperidine-2-carboxamide is C=CCN1CCCCC1C(N)=O.
What is the InChIKey of 1-prop-2-enylpiperidine-2-carboxamide?
The InChIKey is BIOXGDMECCYQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-6-11-7-4-3-5-8(11)9(10)12/h2,8H,1,3-7H2,(H2,10,12).
What are the key properties of 1-prop-2-enylpiperidine-2-carboxamide?
1-prop-2-enylpiperidine-2-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpiperidine-2-carboxamide is sourced from PubChem (CID 67292976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).