2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide

C12H21N7O2 — CID 63579535

IUPAC2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
SMILESNNC(=O)c1cn(CCN2CCC(CC(N)=O)CC2)nn1
InChIInChI=1S/C12H21N7O2/c13-11(20)7-9-1-3-18(4-2-9)5-6-19-8-10(16-17-19)12(21)15-14/h8-9H,1-7,14H2,(H2,13,20)(H,15,21)
InChIKeyCMUPKYJFQNRVAA-UHFFFAOYSA-N
MW295.35 g/mol
LogP-1.53
Rot. Bonds6

About 2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide

2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide (PubChem CID 63579535) has the molecular formula C12H21N7O2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
PubChem CID63579535
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
SMILESNNC(=O)c1cn(CCN2CCC(CC(N)=O)CC2)nn1
InChIInChI=1S/C12H21N7O2/c13-11(20)7-9-1-3-18(4-2-9)5-6-19-8-10(16-17-19)12(21)15-14/h8-9H,1-7,14H2,(H2,13,20)(H,15,21)
InChIKeyCMUPKYJFQNRVAA-UHFFFAOYSA-N
XLogP-1.53
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 ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide
CID 79164963
1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63573572
1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
CID 55214791
1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63572290
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide
CID 79920562
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]triazole-4-carbohydrazide
CID 65322216
1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide
CID 63580319
1-[2-(2-cyclopropylethoxy)ethyl]triazole-4-carbohydrazide
CID 114158101
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide
CID 63583913
1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45218907
1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide
CID 63578946
1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63579377

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide (CID 63579535) is 2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide is NNC(=O)c1cn(CCN2CCC(CC(N)=O)CC2)nn1.
What is the InChIKey of 2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide?
The InChIKey is CMUPKYJFQNRVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O2/c13-11(20)7-9-1-3-18(4-2-9)5-6-19-8-10(16-17-19)12(21)15-14/h8-9H,1-7,14H2,(H2,13,20)(H,15,21).
What are the key properties of 2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide?
2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide has a molecular weight of 295.35 g/mol, XLogP of -1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 63579535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).