(2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide

C11H19N5O — CID 103814748

IUPAC(2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)[C@@H]2CCCCN2)n[nH]1
InChIInChI=1S/C11H19N5O/c1-8-13-10(15-14-8)7-16(2)11(17)9-5-3-4-6-12-9/h9,12H,3-7H2,1-2H3,(H,13,14,15)/t9-/m0/s1
InChIKeyLYCBZQDYHBHAOY-VIFPVBQESA-N
MW237.31 g/mol
LogP0.21
Rot. Bonds3

About (2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide

(2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide (PubChem CID 103814748) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
PubChem CID103814748
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)[C@@H]2CCCCN2)n[nH]1
InChIInChI=1S/C11H19N5O/c1-8-13-10(15-14-8)7-16(2)11(17)9-5-3-4-6-12-9/h9,12H,3-7H2,1-2H3,(H,13,14,15)/t9-/m0/s1
InChIKeyLYCBZQDYHBHAOY-VIFPVBQESA-N
XLogP0.21
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide (CID 103814748) is (2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide is Cc1nc(CN(C)C(=O)[C@@H]2CCCCN2)n[nH]1.
What is the InChIKey of (2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide?
The InChIKey is LYCBZQDYHBHAOY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-13-10(15-14-8)7-16(2)11(17)9-5-3-4-6-12-9/h9,12H,3-7H2,1-2H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide?
(2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 103814748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).