N-prop-2-enoylpiperidine-3-carboxamide

C9H14N2O2 — CID 24857684

IUPACN-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)NC(=O)C1CCCNC1
InChIInChI=1S/C9H14N2O2/c1-2-8(12)11-9(13)7-4-3-5-10-6-7/h2,7,10H,1,3-6H2,(H,11,12,13)
InChIKeyIZBQAIGPFVPPJB-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.19
Rot. Bonds2

About N-prop-2-enoylpiperidine-3-carboxamide

N-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 24857684) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enoylpiperidine-3-carboxamide
PubChem CID24857684
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)NC(=O)C1CCCNC1
InChIInChI=1S/C9H14N2O2/c1-2-8(12)11-9(13)7-4-3-5-10-6-7/h2,7,10H,1,3-6H2,(H,11,12,13)
InChIKeyIZBQAIGPFVPPJB-UHFFFAOYSA-N
XLogP-0.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of N-prop-2-enoylpiperidine-3-carboxamide (CID 24857684) is N-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for N-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for N-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)NC(=O)C1CCCNC1.
What is the InChIKey of N-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is IZBQAIGPFVPPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-8(12)11-9(13)7-4-3-5-10-6-7/h2,7,10H,1,3-6H2,(H,11,12,13).
What are the key properties of N-prop-2-enoylpiperidine-3-carboxamide?
N-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 24857684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).