1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide

C16H26N6O2 — CID 46997522

IUPAC1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide
SMILESNC(=O)CN1CCCC(C(=O)NCc2nnc3n2CCCCC3)C1
InChIInChI=1S/C16H26N6O2/c17-13(23)11-21-7-4-5-12(10-21)16(24)18-9-15-20-19-14-6-2-1-3-8-22(14)15/h12H,1-11H2,(H2,17,23)(H,18,24)
InChIKeyFFMXXFLGGRVGNR-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.18
Rot. Bonds5

About 1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 46997522) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID46997522
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide
SMILESNC(=O)CN1CCCC(C(=O)NCc2nnc3n2CCCCC3)C1
InChIInChI=1S/C16H26N6O2/c17-13(23)11-21-7-4-5-12(10-21)16(24)18-9-15-20-19-14-6-2-1-3-8-22(14)15/h12H,1-11H2,(H2,17,23)(H,18,24)
InChIKeyFFMXXFLGGRVGNR-UHFFFAOYSA-N
XLogP-0.18
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohexanecarboxamide
CID 24246369
4-methyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentanamide
CID 71897664
2-(Azepan-1-yl)-1-(3-piperidin-3-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethanone
CID 110260214
(1S*,5R*)-6-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylcarbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133128423
N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 56702284
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908250
6-oxo-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]piperidine-3-carboxamide
CID 53521607
(1S,5R)-6-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70713843
5-oxo-1-propan-2-yl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 71897323
(3S)-1-[4-(2-methylpropyl)-5-(propan-2-ylcarbamoyl)-1,2,4-triazol-3-yl]piperidine-3-carboxamide
CID 164631659
(5S)-N-(2-amino-2-oxoethyl)-3-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
CID 164640172
N-[[7-(2-ethylbutyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 118757002

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide (CID 46997522) is 1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide is NC(=O)CN1CCCC(C(=O)NCc2nnc3n2CCCCC3)C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FFMXXFLGGRVGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c17-13(23)11-21-7-4-5-12(10-21)16(24)18-9-15-20-19-14-6-2-1-3-8-22(14)15/h12H,1-11H2,(H2,17,23)(H,18,24).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 46997522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).