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

C11H19N5O — CID 80681992

IUPACN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCn1cnc(CCNC(=O)C2CCNCC2)n1
InChIInChI=1S/C11H19N5O/c1-16-8-14-10(15-16)4-7-13-11(17)9-2-5-12-6-3-9/h8-9,12H,2-7H2,1H3,(H,13,17)
InChIKeyWCWOBZVZIAYABD-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.53
Rot. Bonds4

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

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 80681992) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID80681992
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCn1cnc(CCNC(=O)C2CCNCC2)n1
InChIInChI=1S/C11H19N5O/c1-16-8-14-10(15-16)4-7-13-11(17)9-2-5-12-6-3-9/h8-9,12H,2-7H2,1H3,(H,13,17)
InChIKeyWCWOBZVZIAYABD-UHFFFAOYSA-N
XLogP-0.53
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide (CID 80681992) is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is Cn1cnc(CCNC(=O)C2CCNCC2)n1.
What is the InChIKey of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is WCWOBZVZIAYABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16-8-14-10(15-16)4-7-13-11(17)9-2-5-12-6-3-9/h8-9,12H,2-7H2,1H3,(H,13,17).
What are the key properties of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide?
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 80681992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).