N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide

C12H19N5O2 — CID 164637518

IUPACN-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
SMILESC[C@H](NC(=O)C(=O)N1CCCCC1)c1nncn1C
InChIInChI=1S/C12H19N5O2/c1-9(10-15-13-8-16(10)2)14-11(18)12(19)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,14,18)/t9-/m0/s1
InChIKeyZSXPLJLZWQAJAS-VIFPVBQESA-N
MW265.32 g/mol
LogP0.00
Rot. Bonds2

About N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide

N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 164637518) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
PubChem CID164637518
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
SMILESC[C@H](NC(=O)C(=O)N1CCCCC1)c1nncn1C
InChIInChI=1S/C12H19N5O2/c1-9(10-15-13-8-16(10)2)14-11(18)12(19)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,14,18)/t9-/m0/s1
InChIKeyZSXPLJLZWQAJAS-VIFPVBQESA-N
XLogP0.00
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide (CID 164637518) is N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide is C[C@H](NC(=O)C(=O)N1CCCCC1)c1nncn1C.
What is the InChIKey of N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is ZSXPLJLZWQAJAS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N5O2/c1-9(10-15-13-8-16(10)2)14-11(18)12(19)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,14,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide?
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 265.32 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 164637518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).