5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one

C16H20N2O2 — CID 76986559

IUPAC5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCc3ccccc3C2)CN1
InChIInChI=1S/C16H20N2O2/c19-15-8-7-13(10-17-15)16(20)18-9-3-6-12-4-1-2-5-14(12)11-18/h1-2,4-5,13H,3,6-11H2,(H,17,19)
InChIKeyAJPUCMSLJJHJGG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.49
Rot. Bonds1

About 5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one

5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one (PubChem CID 76986559) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one
PubChem CID76986559
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCc3ccccc3C2)CN1
InChIInChI=1S/C16H20N2O2/c19-15-8-7-13(10-17-15)16(20)18-9-3-6-12-4-1-2-5-14(12)11-18/h1-2,4-5,13H,3,6-11H2,(H,17,19)
InChIKeyAJPUCMSLJJHJGG-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
cis-(1R,3S)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 124606569
5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one
CID 112728798
5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 112729081
(5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one
CID 52525158
(2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 64824668
5-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 112728720
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
(7S)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)azepan-2-one
CID 129402879
2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153568
5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-2-one
CID 78928154

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one?
The IUPAC name of 5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one (CID 76986559) is 5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one.
What is the SMILES notation for 5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one?
The canonical SMILES for 5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCCc3ccccc3C2)CN1.
What is the InChIKey of 5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one?
The InChIKey is AJPUCMSLJJHJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-8-7-13(10-17-15)16(20)18-9-3-6-12-4-1-2-5-14(12)11-18/h1-2,4-5,13H,3,6-11H2,(H,17,19).
What are the key properties of 5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one?
5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one is sourced from PubChem (CID 76986559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).