(6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone

C26H26N2O2 — CID 11675672

IUPAC(6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SMILESCN1CCCCC1Cn1cc(C(=O)c2cccc3cc(O)ccc23)c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-27-14-5-4-8-19(27)16-28-17-24(22-9-2-3-11-25(22)28)26(30)23-10-6-7-18-15-20(29)12-13-21(18)23/h2-3,6-7,9-13,15,17,19,29H,4-5,8,14,16H2,1H3
InChIKeyWWIOGNJXQOLKTE-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.22
Rot. Bonds4

About (6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone

(6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone (PubChem CID 11675672) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone.

Molecular Properties

Compound Name(6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
PubChem CID11675672
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SMILESCN1CCCCC1Cn1cc(C(=O)c2cccc3cc(O)ccc23)c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-27-14-5-4-8-19(27)16-28-17-24(22-9-2-3-11-25(22)28)26(30)23-10-6-7-18-15-20(29)12-13-21(18)23/h2-3,6-7,9-13,15,17,19,29H,4-5,8,14,16H2,1H3
InChIKeyWWIOGNJXQOLKTE-UHFFFAOYSA-N
XLogP5.22
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The IUPAC name of (6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone (CID 11675672) is (6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone.
What is the SMILES notation for (6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The canonical SMILES for (6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone is CN1CCCCC1Cn1cc(C(=O)c2cccc3cc(O)ccc23)c2ccccc21.
What is the InChIKey of (6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
The InChIKey is WWIOGNJXQOLKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-27-14-5-4-8-19(27)16-28-17-24(22-9-2-3-11-25(22)28)26(30)23-10-6-7-18-15-20(29)12-13-21(18)23/h2-3,6-7,9-13,15,17,19,29H,4-5,8,14,16H2,1H3.
What are the key properties of (6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone?
(6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone is sourced from PubChem (CID 11675672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).