(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone

C20H26N2O2 — CID 113203936

IUPAC(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc2[nH]c3c(c2c1)CC(C(=O)N1CCC(C)CC1)CC3
InChIInChI=1S/C20H26N2O2/c1-13-7-9-22(10-8-13)20(23)14-3-5-18-16(11-14)17-12-15(24-2)4-6-19(17)21-18/h4,6,12-14,21H,3,5,7-11H2,1-2H3
InChIKeyCHHDRBXNCSPADT-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.54
Rot. Bonds2

About (6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone

(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 113203936) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID113203936
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc2[nH]c3c(c2c1)CC(C(=O)N1CCC(C)CC1)CC3
InChIInChI=1S/C20H26N2O2/c1-13-7-9-22(10-8-13)20(23)14-3-5-18-16(11-14)17-12-15(24-2)4-6-19(17)21-18/h4,6,12-14,21H,3,5,7-11H2,1-2H3
InChIKeyCHHDRBXNCSPADT-UHFFFAOYSA-N
XLogP3.54
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone (CID 113203936) is (6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone is COc1ccc2[nH]c3c(c2c1)CC(C(=O)N1CCC(C)CC1)CC3.
What is the InChIKey of (6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is CHHDRBXNCSPADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-7-9-22(10-8-13)20(23)14-3-5-18-16(11-14)17-12-15(24-2)4-6-19(17)21-18/h4,6,12-14,21H,3,5,7-11H2,1-2H3.
What are the key properties of (6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 326.44 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 113203936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).