2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone

C17H24N2O — CID 63153568

IUPAC2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
SMILESO=C(CC1CCCNC1)N1CCCc2ccccc2C1
InChIInChI=1S/C17H24N2O/c20-17(11-14-5-3-9-18-12-14)19-10-4-8-15-6-1-2-7-16(15)13-19/h1-2,6-7,14,18H,3-5,8-13H2
InChIKeyIPJNWDDOFWDXAF-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.35
Rot. Bonds2

About 2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone

2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (PubChem CID 63153568) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone.

Molecular Properties

Compound Name2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
PubChem CID63153568
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
SMILESO=C(CC1CCCNC1)N1CCCc2ccccc2C1
InChIInChI=1S/C17H24N2O/c20-17(11-14-5-3-9-18-12-14)19-10-4-8-15-6-1-2-7-16(15)13-19/h1-2,6-7,14,18H,3-5,8-13H2
InChIKeyIPJNWDDOFWDXAF-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
2-piperidin-4-ylsulfanyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 114627520
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 86323482
1-methyl-4-(2-piperidin-3-ylacetyl)piperazin-2-one
CID 64682024
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 119669639
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348
2-(piperidin-3-ylmethyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525998
1-piperazin-1-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethane-1,2-dione
CID 63153451
1-(1,4-diazepan-1-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153181

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The IUPAC name of 2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (CID 63153568) is 2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone.
What is the SMILES notation for 2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The canonical SMILES for 2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone is O=C(CC1CCCNC1)N1CCCc2ccccc2C1.
What is the InChIKey of 2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The InChIKey is IPJNWDDOFWDXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(11-14-5-3-9-18-12-14)19-10-4-8-15-6-1-2-7-16(15)13-19/h1-2,6-7,14,18H,3-5,8-13H2.
What are the key properties of 2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone is sourced from PubChem (CID 63153568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).