N-prop-2-enylpiperidine-2-carboxamide

C9H16N2O — CID 24694421

IUPACN-prop-2-enylpiperidine-2-carboxamide
SMILESC=CCNC(=O)C1CCCCN1
InChIInChI=1S/C9H16N2O/c1-2-6-11-9(12)8-5-3-4-7-10-8/h2,8,10H,1,3-7H2,(H,11,12)
InChIKeyKCFQYMKLWXDPDY-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.43
Rot. Bonds3

About N-prop-2-enylpiperidine-2-carboxamide

N-prop-2-enylpiperidine-2-carboxamide (PubChem CID 24694421) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-prop-2-enylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-enylpiperidine-2-carboxamide
PubChem CID24694421
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-prop-2-enylpiperidine-2-carboxamide
SMILESC=CCNC(=O)C1CCCCN1
InChIInChI=1S/C9H16N2O/c1-2-6-11-9(12)8-5-3-4-7-10-8/h2,8,10H,1,3-7H2,(H,11,12)
InChIKeyKCFQYMKLWXDPDY-UHFFFAOYSA-N
XLogP0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
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 N-prop-2-enylpiperidine-2-carboxamide?
The IUPAC name of N-prop-2-enylpiperidine-2-carboxamide (CID 24694421) is N-prop-2-enylpiperidine-2-carboxamide.
What is the SMILES notation for N-prop-2-enylpiperidine-2-carboxamide?
The canonical SMILES for N-prop-2-enylpiperidine-2-carboxamide is C=CCNC(=O)C1CCCCN1.
What is the InChIKey of N-prop-2-enylpiperidine-2-carboxamide?
The InChIKey is KCFQYMKLWXDPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-6-11-9(12)8-5-3-4-7-10-8/h2,8,10H,1,3-7H2,(H,11,12).
What are the key properties of N-prop-2-enylpiperidine-2-carboxamide?
N-prop-2-enylpiperidine-2-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpiperidine-2-carboxamide is sourced from PubChem (CID 24694421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).