N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide

C19H25N5O4 — CID 31840193

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
SMILESO=C(Cn1nc2n(c1=O)CCCCC2)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C19H25N5O4/c25-17(12-24-19(27)23-8-3-1-2-4-16(23)21-24)20-15-5-9-22(10-6-15)18(26)14-7-11-28-13-14/h7,11,13,15H,1-6,8-10,12H2,(H,20,25)
InChIKeyAOHJKJRNRKXLJM-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.79
Rot. Bonds4

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide (PubChem CID 31840193) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
PubChem CID31840193
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
SMILESO=C(Cn1nc2n(c1=O)CCCCC2)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C19H25N5O4/c25-17(12-24-19(27)23-8-3-1-2-4-16(23)21-24)20-15-5-9-22(10-6-15)18(26)14-7-11-28-13-14/h7,11,13,15H,1-6,8-10,12H2,(H,20,25)
InChIKeyAOHJKJRNRKXLJM-UHFFFAOYSA-N
XLogP0.79
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide with MolForge

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Related Compounds

N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 95146261
2-methyl-N-[1-[2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetyl]piperidin-4-yl]benzamide
CID 55688968
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38211664
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 95632611
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 111661701
2-(2-cyclopentyl-2-oxoethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 104751304
2-(2-chlorophenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38210187
N-[1-(furan-3-carbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 38212637
N-(2-hydroxypropyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 110886642
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-benzhydryl-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 17420439

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide (CID 31840193) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide is O=C(Cn1nc2n(c1=O)CCCCC2)NC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide?
The InChIKey is AOHJKJRNRKXLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c25-17(12-24-19(27)23-8-3-1-2-4-16(23)21-24)20-15-5-9-22(10-6-15)18(26)14-7-11-28-13-14/h7,11,13,15H,1-6,8-10,12H2,(H,20,25).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide is sourced from PubChem (CID 31840193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).