2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide

C12H21N7O2 — CID 115459189

IUPAC2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
SMILESNCc1cn(CC(=O)NC2CCN(CC(N)=O)CC2)nn1
InChIInChI=1S/C12H21N7O2/c13-5-10-6-19(17-16-10)8-12(21)15-9-1-3-18(4-2-9)7-11(14)20/h6,9H,1-5,7-8,13H2,(H2,14,20)(H,15,21)
InChIKeyTZTJIEXVUAIELN-UHFFFAOYSA-N
MW295.35 g/mol
LogP-2.20
Rot. Bonds6

About 2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide

2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide (PubChem CID 115459189) has the molecular formula C12H21N7O2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
PubChem CID115459189
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
SMILESNCc1cn(CC(=O)NC2CCN(CC(N)=O)CC2)nn1
InChIInChI=1S/C12H21N7O2/c13-5-10-6-19(17-16-10)8-12(21)15-9-1-3-18(4-2-9)7-11(14)20/h6,9H,1-5,7-8,13H2,(H2,14,20)(H,15,21)
InChIKeyTZTJIEXVUAIELN-UHFFFAOYSA-N
XLogP-2.20
TPSA132.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
CID 115458990
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide
CID 115460242
4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide
CID 115460101
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 115459133
2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 62400544
2-amino-3-[1-[2-(oxan-4-ylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735124
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide
CID 114121457
2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
CID 43425925
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide
CID 66192627

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide (CID 115459189) is 2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide is NCc1cn(CC(=O)NC2CCN(CC(N)=O)CC2)nn1.
What is the InChIKey of 2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide?
The InChIKey is TZTJIEXVUAIELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O2/c13-5-10-6-19(17-16-10)8-12(21)15-9-1-3-18(4-2-9)7-11(14)20/h6,9H,1-5,7-8,13H2,(H2,14,20)(H,15,21).
What are the key properties of 2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide?
2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide has a molecular weight of 295.35 g/mol, XLogP of -2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 115459189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).