1-prop-2-enylpiperidine-4-carboxamide

C9H16N2O — CID 47010415

IUPAC1-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCN1CCC(C(N)=O)CC1
InChIInChI=1S/C9H16N2O/c1-2-5-11-6-3-8(4-7-11)9(10)12/h2,8H,1,3-7H2,(H2,10,12)
InChIKeyILHHQEZUHFVLJM-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.37
Rot. Bonds3

About 1-prop-2-enylpiperidine-4-carboxamide

1-prop-2-enylpiperidine-4-carboxamide (PubChem CID 47010415) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-prop-2-enylpiperidine-4-carboxamide
PubChem CID47010415
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCN1CCC(C(N)=O)CC1
InChIInChI=1S/C9H16N2O/c1-2-5-11-6-3-8(4-7-11)9(10)12/h2,8H,1,3-7H2,(H2,10,12)
InChIKeyILHHQEZUHFVLJM-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
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-4-carboxamide?
The IUPAC name of 1-prop-2-enylpiperidine-4-carboxamide (CID 47010415) is 1-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-prop-2-enylpiperidine-4-carboxamide is C=CCN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is ILHHQEZUHFVLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-5-11-6-3-8(4-7-11)9(10)12/h2,8H,1,3-7H2,(H2,10,12).
What are the key properties of 1-prop-2-enylpiperidine-4-carboxamide?
1-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.37, 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-4-carboxamide is sourced from PubChem (CID 47010415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).