3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one

C18H25NO2 — CID 51124376

IUPAC3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
SMILESO=C(CCC1CCCC1)N1CCc2ccc(O)cc2CC1
InChIInChI=1S/C18H25NO2/c20-17-7-6-15-9-11-19(12-10-16(15)13-17)18(21)8-5-14-3-1-2-4-14/h6-7,13-14,20H,1-5,8-12H2
InChIKeyGKUMCOCTGCPDSU-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.29
Rot. Bonds3

About 3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one

3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one (PubChem CID 51124376) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
PubChem CID51124376
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
SMILESO=C(CCC1CCCC1)N1CCc2ccc(O)cc2CC1
InChIInChI=1S/C18H25NO2/c20-17-7-6-15-9-11-19(12-10-16(15)13-17)18(21)8-5-14-3-1-2-4-14/h6-7,13-14,20H,1-5,8-12H2
InChIKeyGKUMCOCTGCPDSU-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one
CID 62211445
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
CID 121187051
3-cyclohexyl-1-[4-[3-(4-hydroxyphenyl)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 134708657
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47180816
5-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 54876383
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
3-cyclopentyl-1-[4-(2,3,5-trichloro-6-hydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 112821184
1-[4-[3-(4-chlorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-cyclohexylpropan-1-one
CID 108547690
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone
CID 93375324
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one (CID 51124376) is 3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one is O=C(CCC1CCCC1)N1CCc2ccc(O)cc2CC1.
What is the InChIKey of 3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one?
The InChIKey is GKUMCOCTGCPDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-17-7-6-15-9-11-19(12-10-16(15)13-17)18(21)8-5-14-3-1-2-4-14/h6-7,13-14,20H,1-5,8-12H2.
What are the key properties of 3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one?
3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one has a molecular weight of 287.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one is sourced from PubChem (CID 51124376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).