3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C15H21N3O — CID 103313466

IUPAC3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1NN1CCCCC1
InChIInChI=1S/C15H21N3O/c19-15-14(17-18-10-4-1-5-11-18)9-8-12-6-2-3-7-13(12)16-15/h2-3,6-7,14,17H,1,4-5,8-11H2,(H,16,19)
InChIKeyIQYIDGWOODZJBW-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.93
Rot. Bonds2

About 3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 103313466) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID103313466
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1NN1CCCCC1
InChIInChI=1S/C15H21N3O/c19-15-14(17-18-10-4-1-5-11-18)9-8-12-6-2-3-7-13(12)16-15/h2-3,6-7,14,17H,1,4-5,8-11H2,(H,16,19)
InChIKeyIQYIDGWOODZJBW-UHFFFAOYSA-N
XLogP1.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 103313466) is 3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1Nc2ccccc2CCC1NN1CCCCC1.
What is the InChIKey of 3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is IQYIDGWOODZJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15-14(17-18-10-4-1-5-11-18)9-8-12-6-2-3-7-13(12)16-15/h2-3,6-7,14,17H,1,4-5,8-11H2,(H,16,19).
What are the key properties of 3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 103313466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).