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

C11H19N5O — CID 43706299

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCNCC1)c1nncn1C
InChIInChI=1S/C11H19N5O/c1-8(10-15-13-7-16(10)2)14-11(17)9-3-5-12-6-4-9/h7-9,12H,3-6H2,1-2H3,(H,14,17)
InChIKeyVBPUBWNKLQDGCE-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.01
Rot. Bonds3

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

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 43706299) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID43706299
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCNCC1)c1nncn1C
InChIInChI=1S/C11H19N5O/c1-8(10-15-13-7-16(10)2)14-11(17)9-3-5-12-6-4-9/h7-9,12H,3-6H2,1-2H3,(H,14,17)
InChIKeyVBPUBWNKLQDGCE-UHFFFAOYSA-N
XLogP-0.01
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (CID 43706299) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCNCC1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is VBPUBWNKLQDGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8(10-15-13-7-16(10)2)14-11(17)9-3-5-12-6-4-9/h7-9,12H,3-6H2,1-2H3,(H,14,17).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43706299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).