(3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone

C23H26F2N2O2 — CID 143644042

IUPAC(3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone
SMILESCC(C)N1CC2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)C1c1ccc(O)cc1
InChIInChI=1S/C23H26F2N2O2/c1-15(2)27-14-23(21(27)16-3-5-20(28)6-4-16)7-9-26(10-8-23)22(29)17-11-18(24)13-19(25)12-17/h3-6,11-13,15,21,28H,7-10,14H2,1-2H3
InChIKeyBCKFRCVCYRJSNO-UHFFFAOYSA-N
MW400.47 g/mol
LogP4.36
Rot. Bonds3

About (3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone

(3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone (PubChem CID 143644042) has the molecular formula C23H26F2N2O2 and a molecular weight of 400.47 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone
PubChem CID143644042
Molecular FormulaC23H26F2N2O2
Molecular Weight400.47 g/mol
Exact Mass400.20
IUPAC Name(3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone
SMILESCC(C)N1CC2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)C1c1ccc(O)cc1
InChIInChI=1S/C23H26F2N2O2/c1-15(2)27-14-23(21(27)16-3-5-20(28)6-4-16)7-9-26(10-8-23)22(29)17-11-18(24)13-19(25)12-17/h3-6,11-13,15,21,28H,7-10,14H2,1-2H3
InChIKeyBCKFRCVCYRJSNO-UHFFFAOYSA-N
XLogP4.36
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone (CID 143644042) is (3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone is CC(C)N1CC2(CCN(C(=O)c3cc(F)cc(F)c3)CC2)C1c1ccc(O)cc1.
What is the InChIKey of (3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is BCKFRCVCYRJSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O2/c1-15(2)27-14-23(21(27)16-3-5-20(28)6-4-16)7-9-26(10-8-23)22(29)17-11-18(24)13-19(25)12-17/h3-6,11-13,15,21,28H,7-10,14H2,1-2H3.
What are the key properties of (3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
(3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 400.47 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 143644042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).