(4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone

C25H34N2O2 — CID 11703903

IUPAC(4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3c2)CC1
InChIInChI=1S/C25H34N2O2/c1-18(2)26-14-10-23(11-15-26)29-24-7-6-20-16-22(5-4-21(20)17-24)25(28)27-12-8-19(3)9-13-27/h4-7,16-19,23H,8-15H2,1-3H3
InChIKeyYHGNRINQDQUNFR-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.96
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone

(4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone (PubChem CID 11703903) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
PubChem CID11703903
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name(4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3c2)CC1
InChIInChI=1S/C25H34N2O2/c1-18(2)26-14-10-23(11-15-26)29-24-7-6-20-16-22(5-4-21(20)17-24)25(28)27-12-8-19(3)9-13-27/h4-7,16-19,23H,8-15H2,1-3H3
InChIKeyYHGNRINQDQUNFR-UHFFFAOYSA-N
XLogP4.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.96
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-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone (CID 11703903) is (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone is CC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
The InChIKey is YHGNRINQDQUNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-18(2)26-14-10-23(11-15-26)29-24-7-6-20-16-22(5-4-21(20)17-24)25(28)27-12-8-19(3)9-13-27/h4-7,16-19,23H,8-15H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone?
(4-methylpiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone has a molecular weight of 394.56 g/mol, XLogP of 4.96, 4 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-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone is sourced from PubChem (CID 11703903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).