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

C13H23N5O — CID 56743171

IUPACN-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCCn1ncnc1CN1CCC(CNC(C)=O)CC1
InChIInChI=1S/C13H23N5O/c1-3-18-13(15-10-16-18)9-17-6-4-12(5-7-17)8-14-11(2)19/h10,12H,3-9H2,1-2H3,(H,14,19)
InChIKeyVJWLQSKWBTUOON-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.65
Rot. Bonds5

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

N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 56743171) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID56743171
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCCn1ncnc1CN1CCC(CNC(C)=O)CC1
InChIInChI=1S/C13H23N5O/c1-3-18-13(15-10-16-18)9-17-6-4-12(5-7-17)8-14-11(2)19/h10,12H,3-9H2,1-2H3,(H,14,19)
InChIKeyVJWLQSKWBTUOON-UHFFFAOYSA-N
XLogP0.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide (CID 56743171) is N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide is CCn1ncnc1CN1CCC(CNC(C)=O)CC1.
What is the InChIKey of N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is VJWLQSKWBTUOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-18-13(15-10-16-18)9-17-6-4-12(5-7-17)8-14-11(2)19/h10,12H,3-9H2,1-2H3,(H,14,19).
What are the key properties of N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 56743171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).