4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile

C24H27N3O2 — CID 143644095

IUPAC4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile
SMILESCC(C)N1CC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1c1ccc(O)cc1
InChIInChI=1S/C24H27N3O2/c1-17(2)27-16-24(22(27)19-7-9-21(28)10-8-19)11-13-26(14-12-24)23(29)20-5-3-18(15-25)4-6-20/h3-10,17,22,28H,11-14,16H2,1-2H3
InChIKeyPIEQSVPNHUTVRR-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.95
Rot. Bonds3

About 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile

4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile (PubChem CID 143644095) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile
PubChem CID143644095
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile
SMILESCC(C)N1CC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1c1ccc(O)cc1
InChIInChI=1S/C24H27N3O2/c1-17(2)27-16-24(22(27)19-7-9-21(28)10-8-19)11-13-26(14-12-24)23(29)20-5-3-18(15-25)4-6-20/h3-10,17,22,28H,11-14,16H2,1-2H3
InChIKeyPIEQSVPNHUTVRR-UHFFFAOYSA-N
XLogP3.95
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile (CID 143644095) is 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile is CC(C)N1CC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1c1ccc(O)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile?
The InChIKey is PIEQSVPNHUTVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17(2)27-16-24(22(27)19-7-9-21(28)10-8-19)11-13-26(14-12-24)23(29)20-5-3-18(15-25)4-6-20/h3-10,17,22,28H,11-14,16H2,1-2H3.
What are the key properties of 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile?
4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile has a molecular weight of 389.50 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile is sourced from PubChem (CID 143644095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).