9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one

C26H32N2O4 — CID 59373617

IUPAC9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
SMILESCC1(C)CC2(CCCN(C3CCN(C(=O)c4c(O)ccc5ccccc45)CC3)C2)C(=O)O1
InChIInChI=1S/C26H32N2O4/c1-25(2)16-26(24(31)32-25)12-5-13-28(17-26)19-10-14-27(15-11-19)23(30)22-20-7-4-3-6-18(20)8-9-21(22)29/h3-4,6-9,19,29H,5,10-17H2,1-2H3
InChIKeyITWCSOFXJNBDRA-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.96
Rot. Bonds2

About 9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one

9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one (PubChem CID 59373617) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
PubChem CID59373617
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
SMILESCC1(C)CC2(CCCN(C3CCN(C(=O)c4c(O)ccc5ccccc45)CC3)C2)C(=O)O1
InChIInChI=1S/C26H32N2O4/c1-25(2)16-26(24(31)32-25)12-5-13-28(17-26)19-10-14-27(15-11-19)23(30)22-20-7-4-3-6-18(20)8-9-21(22)29/h3-4,6-9,19,29H,5,10-17H2,1-2H3
InChIKeyITWCSOFXJNBDRA-UHFFFAOYSA-N
XLogP3.96
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one?
The IUPAC name of 9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one (CID 59373617) is 9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one is CC1(C)CC2(CCCN(C3CCN(C(=O)c4c(O)ccc5ccccc45)CC3)C2)C(=O)O1.
What is the InChIKey of 9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one?
The InChIKey is ITWCSOFXJNBDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-25(2)16-26(24(31)32-25)12-5-13-28(17-26)19-10-14-27(15-11-19)23(30)22-20-7-4-3-6-18(20)8-9-21(22)29/h3-4,6-9,19,29H,5,10-17H2,1-2H3.
What are the key properties of 9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one?
9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one has a molecular weight of 436.55 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 59373617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).