(4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone

C24H32N2O2 — CID 45270277

IUPAC(4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3cc(OCCC4CCCN4C)ccc3c2)CC1
InChIInChI=1S/C24H32N2O2/c1-18-9-13-26(14-10-18)24(27)21-6-5-20-17-23(8-7-19(20)16-21)28-15-11-22-4-3-12-25(22)2/h5-8,16-18,22H,3-4,9-15H2,1-2H3
InChIKeyBGOMQIUNKLIQLP-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.57
Rot. Bonds5

About (4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone

(4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone (PubChem CID 45270277) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone
PubChem CID45270277
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3cc(OCCC4CCCN4C)ccc3c2)CC1
InChIInChI=1S/C24H32N2O2/c1-18-9-13-26(14-10-18)24(27)21-6-5-20-17-23(8-7-19(20)16-21)28-15-11-22-4-3-12-25(22)2/h5-8,16-18,22H,3-4,9-15H2,1-2H3
InChIKeyBGOMQIUNKLIQLP-UHFFFAOYSA-N
XLogP4.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone (CID 45270277) is (4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone is CC1CCN(C(=O)c2ccc3cc(OCCC4CCCN4C)ccc3c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone?
The InChIKey is BGOMQIUNKLIQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18-9-13-26(14-10-18)24(27)21-6-5-20-17-23(8-7-19(20)16-21)28-15-11-22-4-3-12-25(22)2/h5-8,16-18,22H,3-4,9-15H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone?
(4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone has a molecular weight of 380.53 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-[2-(1-methylpyrrolidin-2-yl)ethoxy]naphthalen-2-yl]methanone is sourced from PubChem (CID 45270277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).