1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide

C11H18N6O2 — CID 115458891

IUPAC1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
SMILESNCc1cn(CC(=O)N2CCC(C(N)=O)CC2)nn1
InChIInChI=1S/C11H18N6O2/c12-5-9-6-17(15-14-9)7-10(18)16-3-1-8(2-4-16)11(13)19/h6,8H,1-5,7,12H2,(H2,13,19)
InChIKeyAVHOWSNUHOTKTR-UHFFFAOYSA-N
MW266.31 g/mol
LogP-1.54
Rot. Bonds4

About 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide

1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide (PubChem CID 115458891) has the molecular formula C11H18N6O2 and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
PubChem CID115458891
Molecular FormulaC11H18N6O2
Molecular Weight266.31 g/mol
Exact Mass266.15
IUPAC Name1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
SMILESNCc1cn(CC(=O)N2CCC(C(N)=O)CC2)nn1
InChIInChI=1S/C11H18N6O2/c12-5-9-6-17(15-14-9)7-10(18)16-3-1-8(2-4-16)11(13)19/h6,8H,1-5,7,12H2,(H2,13,19)
InChIKeyAVHOWSNUHOTKTR-UHFFFAOYSA-N
XLogP-1.54
TPSA120.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 115459483
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 113314176
2-[1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidin-4-yl]oxyacetic acid
CID 115459912
2-[4-(aminomethyl)triazol-1-yl]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 113314232
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
CID 115459404
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888
ethyl 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-3-carboxylate
CID 115458921
2-[4-(aminomethyl)triazol-1-yl]-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
CID 115459724
2-(4-aminotriazol-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 112531193
1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone
CID 106221205
2-[4-(aminomethyl)triazol-1-yl]-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 115460124
2-[4-(3-aminopropyl)triazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 106221300

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide (CID 115458891) is 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide is NCc1cn(CC(=O)N2CCC(C(N)=O)CC2)nn1.
What is the InChIKey of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is AVHOWSNUHOTKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c12-5-9-6-17(15-14-9)7-10(18)16-3-1-8(2-4-16)11(13)19/h6,8H,1-5,7,12H2,(H2,13,19).
What are the key properties of 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide?
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 266.31 g/mol, XLogP of -1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 115458891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).