(4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone

C26H36N2O2 — CID 45271971

IUPAC(4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone
SMILESCC(C)CN1CCC(Oc2ccc3cc(C(=O)N4CCC(C)CC4)ccc3c2)CC1
InChIInChI=1S/C26H36N2O2/c1-19(2)18-27-12-10-24(11-13-27)30-25-7-6-21-16-23(5-4-22(21)17-25)26(29)28-14-8-20(3)9-15-28/h4-7,16-17,19-20,24H,8-15,18H2,1-3H3
InChIKeyQTTXAJZYVFABKM-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.21
Rot. Bonds5

About (4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone

(4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone (PubChem CID 45271971) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone
PubChem CID45271971
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name(4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone
SMILESCC(C)CN1CCC(Oc2ccc3cc(C(=O)N4CCC(C)CC4)ccc3c2)CC1
InChIInChI=1S/C26H36N2O2/c1-19(2)18-27-12-10-24(11-13-27)30-25-7-6-21-16-23(5-4-22(21)17-25)26(29)28-14-8-20(3)9-15-28/h4-7,16-17,19-20,24H,8-15,18H2,1-3H3
InChIKeyQTTXAJZYVFABKM-UHFFFAOYSA-N
XLogP5.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.21
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-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone (CID 45271971) is (4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone is CC(C)CN1CCC(Oc2ccc3cc(C(=O)N4CCC(C)CC4)ccc3c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone?
The InChIKey is QTTXAJZYVFABKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-19(2)18-27-12-10-24(11-13-27)30-25-7-6-21-16-23(5-4-22(21)17-25)26(29)28-14-8-20(3)9-15-28/h4-7,16-17,19-20,24H,8-15,18H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone?
(4-methylpiperidin-1-yl)-[6-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone has a molecular weight of 408.59 g/mol, XLogP of 5.21, 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-[1-(2-methylpropyl)piperidin-4-yl]oxynaphthalen-2-yl]methanone is sourced from PubChem (CID 45271971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).