1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide

C14H24N6O2 — CID 46994579

IUPAC1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCCn1cnnc1CCNC(=O)C1CCCN(CC(N)=O)C1
InChIInChI=1S/C14H24N6O2/c1-2-20-10-17-18-13(20)5-6-16-14(22)11-4-3-7-19(8-11)9-12(15)21/h10-11H,2-9H2,1H3,(H2,15,21)(H,16,22)
InChIKeyVRFDRHPGBRFVFS-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.85
Rot. Bonds7

About 1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 46994579) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID46994579
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCCn1cnnc1CCNC(=O)C1CCCN(CC(N)=O)C1
InChIInChI=1S/C14H24N6O2/c1-2-20-10-17-18-13(20)5-6-16-14(22)11-4-3-7-19(8-11)9-12(15)21/h10-11H,2-9H2,1H3,(H2,15,21)(H,16,22)
InChIKeyVRFDRHPGBRFVFS-UHFFFAOYSA-N
XLogP-0.85
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide (CID 46994579) is 1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide is CCn1cnnc1CCNC(=O)C1CCCN(CC(N)=O)C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is VRFDRHPGBRFVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-2-20-10-17-18-13(20)5-6-16-14(22)11-4-3-7-19(8-11)9-12(15)21/h10-11H,2-9H2,1H3,(H2,15,21)(H,16,22).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 308.39 g/mol, XLogP of -0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 46994579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).