6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide

C17H25N5O2 — CID 56710824

IUPAC6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide
SMILESC=CCN1CC(C(=O)NC2CCC(n3cnnc3)CC2)CCC1=O
InChIInChI=1S/C17H25N5O2/c1-2-9-21-10-13(3-8-16(21)23)17(24)20-14-4-6-15(7-5-14)22-11-18-19-12-22/h2,11-15H,1,3-10H2,(H,20,24)
InChIKeyFATQDPLIPCVKGM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.30
Rot. Bonds5

About 6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide

6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide (PubChem CID 56710824) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide
PubChem CID56710824
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide
SMILESC=CCN1CC(C(=O)NC2CCC(n3cnnc3)CC2)CCC1=O
InChIInChI=1S/C17H25N5O2/c1-2-9-21-10-13(3-8-16(21)23)17(24)20-14-4-6-15(7-5-14)22-11-18-19-12-22/h2,11-15H,1,3-10H2,(H,20,24)
InChIKeyFATQDPLIPCVKGM-UHFFFAOYSA-N
XLogP1.30
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide?
The IUPAC name of 6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide (CID 56710824) is 6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide is C=CCN1CC(C(=O)NC2CCC(n3cnnc3)CC2)CCC1=O.
What is the InChIKey of 6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide?
The InChIKey is FATQDPLIPCVKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-2-9-21-10-13(3-8-16(21)23)17(24)20-14-4-6-15(7-5-14)22-11-18-19-12-22/h2,11-15H,1,3-10H2,(H,20,24).
What are the key properties of 6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide?
6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-prop-2-enyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]piperidine-3-carboxamide is sourced from PubChem (CID 56710824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).