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

C15H26N6O2 — CID 70752710

IUPAC1-(2-amino-2-oxoethyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCCCn1ncnc1C(C)NC(=O)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H26N6O2/c1-3-6-21-14(17-10-18-21)11(2)19-15(23)12-4-7-20(8-5-12)9-13(16)22/h10-12H,3-9H2,1-2H3,(H2,16,22)(H,19,23)
InChIKeySTXLIBSSQRAHNL-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.06
Rot. Bonds7

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

1-(2-amino-2-oxoethyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 70752710) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID70752710
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name1-(2-amino-2-oxoethyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCCCn1ncnc1C(C)NC(=O)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H26N6O2/c1-3-6-21-14(17-10-18-21)11(2)19-15(23)12-4-7-20(8-5-12)9-13(16)22/h10-12H,3-9H2,1-2H3,(H2,16,22)(H,19,23)
InChIKeySTXLIBSSQRAHNL-UHFFFAOYSA-N
XLogP0.06
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.06
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-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (CID 70752710) is 1-(2-amino-2-oxoethyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is CCCn1ncnc1C(C)NC(=O)C1CCN(CC(N)=O)CC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is STXLIBSSQRAHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-3-6-21-14(17-10-18-21)11(2)19-15(23)12-4-7-20(8-5-12)9-13(16)22/h10-12H,3-9H2,1-2H3,(H2,16,22)(H,19,23).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.06, 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-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 70752710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).