1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one

C24H36N2O2 — CID 58277903

IUPAC1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(C(O)Cc2ccc3c(c2)CCN(C2CCC2)CC3)C1
InChIInChI=1S/C24H36N2O2/c1-2-24(28)26-12-4-5-21(17-26)23(27)16-18-8-9-19-10-13-25(22-6-3-7-22)14-11-20(19)15-18/h8-9,15,21-23,27H,2-7,10-14,16-17H2,1H3
InChIKeyKCSIKZMKAPVGIJ-UHFFFAOYSA-N
MW384.56 g/mol
LogP3.19
Rot. Bonds5

About 1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one

1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one (PubChem CID 58277903) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
PubChem CID58277903
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(C(O)Cc2ccc3c(c2)CCN(C2CCC2)CC3)C1
InChIInChI=1S/C24H36N2O2/c1-2-24(28)26-12-4-5-21(17-26)23(27)16-18-8-9-19-10-13-25(22-6-3-7-22)14-11-20(19)15-18/h8-9,15,21-23,27H,2-7,10-14,16-17H2,1H3
InChIKeyKCSIKZMKAPVGIJ-UHFFFAOYSA-N
XLogP3.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-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-[4-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]-4-fluoropiperidin-1-yl]propan-1-one
CID 58277794
[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 11538325
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylpropan-2-ol
CID 58277876
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone
CID 58277805
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65395381
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
CID 58277841
ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
CID 144584534
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propylcyclohexyl)ethanol
CID 65425263
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-ethylcyclopentyl)ethanol
CID 65409563
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylacetonitrilium
CID 90946663
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788732

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one (CID 58277903) is 1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(C(O)Cc2ccc3c(c2)CCN(C2CCC2)CC3)C1.
What is the InChIKey of 1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
The InChIKey is KCSIKZMKAPVGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-2-24(28)26-12-4-5-21(17-26)23(27)16-18-8-9-19-10-13-25(22-6-3-7-22)14-11-20(19)15-18/h8-9,15,21-23,27H,2-7,10-14,16-17H2,1H3.
What are the key properties of 1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one has a molecular weight of 384.56 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-hydroxyethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 58277903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).