(7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone

C20H30N2O2 — CID 110201084

IUPAC(7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3c(c2)C(O)CCCCCN3C)CC1
InChIInChI=1S/C20H30N2O2/c1-15-9-12-22(13-10-15)20(24)16-7-8-18-17(14-16)19(23)6-4-3-5-11-21(18)2/h7-8,14-15,19,23H,3-6,9-13H2,1-2H3
InChIKeyGIAMCICJYHGSBT-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.60
Rot. Bonds1

About (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone

(7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 110201084) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID110201084
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3c(c2)C(O)CCCCCN3C)CC1
InChIInChI=1S/C20H30N2O2/c1-15-9-12-22(13-10-15)20(24)16-7-8-18-17(14-16)19(23)6-4-3-5-11-21(18)2/h7-8,14-15,19,23H,3-6,9-13H2,1-2H3
InChIKeyGIAMCICJYHGSBT-UHFFFAOYSA-N
XLogP3.60
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485530
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
7-hydroxy-1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,4,5,6,7-hexahydro-1-benzazonine-9-carboxamide
CID 110201040
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(3aS,7aS)-2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124526412
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one
CID 95591235
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
(3-ethynylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 170459136
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014603
1,3-benzodioxol-5-yl-(4-methylazepan-1-yl)methanone
CID 84582371

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone (CID 110201084) is (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc3c(c2)C(O)CCCCCN3C)CC1.
What is the InChIKey of (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is GIAMCICJYHGSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-9-12-22(13-10-15)20(24)16-7-8-18-17(14-16)19(23)6-4-3-5-11-21(18)2/h7-8,14-15,19,23H,3-6,9-13H2,1-2H3.
What are the key properties of (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone?
(7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 330.47 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1-benzazonin-9-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110201084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).