[1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone

C25H25N3O — CID 11703677

IUPAC[1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone
SMILESCN1CCCCC1Cn1nc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H25N3O/c1-27-16-7-6-11-19(27)17-28-23-15-5-4-13-22(23)24(26-28)25(29)21-14-8-10-18-9-2-3-12-20(18)21/h2-5,8-10,12-15,19H,6-7,11,16-17H2,1H3
InChIKeyCGTYEZMRPYOVPE-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.90
Rot. Bonds4

About [1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone

[1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 11703677) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is [1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone
PubChem CID11703677
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name[1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone
SMILESCN1CCCCC1Cn1nc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H25N3O/c1-27-16-7-6-11-19(27)17-28-23-15-5-4-13-22(23)24(26-28)25(29)21-14-8-10-18-9-2-3-12-20(18)21/h2-5,8-10,12-15,19H,6-7,11,16-17H2,1H3
InChIKeyCGTYEZMRPYOVPE-UHFFFAOYSA-N
XLogP4.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone (CID 11703677) is [1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone is CN1CCCCC1Cn1nc(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of [1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is CGTYEZMRPYOVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-27-16-7-6-11-19(27)17-28-23-15-5-4-13-22(23)24(26-28)25(29)21-14-8-10-18-9-2-3-12-20(18)21/h2-5,8-10,12-15,19H,6-7,11,16-17H2,1H3.
What are the key properties of [1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone?
[1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 383.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpiperidin-2-yl)methyl]indazol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 11703677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).