3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone

C24H30N2O2 — CID 119073263

IUPAC3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone
SMILESO=C(c1cccc(-c2cccc(CO)c2)c1)N1CCCC2(CCNCC2)CC1
InChIInChI=1S/C24H30N2O2/c27-18-19-4-1-5-20(16-19)21-6-2-7-22(17-21)23(28)26-14-3-8-24(11-15-26)9-12-25-13-10-24/h1-2,4-7,16-17,25,27H,3,8-15,18H2
InChIKeyOGNRAKCYDCKLMU-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.84
Rot. Bonds3

About 3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone

3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone (PubChem CID 119073263) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone
PubChem CID119073263
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone
SMILESO=C(c1cccc(-c2cccc(CO)c2)c1)N1CCCC2(CCNCC2)CC1
InChIInChI=1S/C24H30N2O2/c27-18-19-4-1-5-20(16-19)21-6-2-7-22(17-21)23(28)26-14-3-8-24(11-15-26)9-12-25-13-10-24/h1-2,4-7,16-17,25,27H,3,8-15,18H2
InChIKeyOGNRAKCYDCKLMU-UHFFFAOYSA-N
XLogP3.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone?
The IUPAC name of 3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone (CID 119073263) is 3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone.
What is the SMILES notation for 3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone?
The canonical SMILES for 3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone is O=C(c1cccc(-c2cccc(CO)c2)c1)N1CCCC2(CCNCC2)CC1.
What is the InChIKey of 3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone?
The InChIKey is OGNRAKCYDCKLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-18-19-4-1-5-20(16-19)21-6-2-7-22(17-21)23(28)26-14-3-8-24(11-15-26)9-12-25-13-10-24/h1-2,4-7,16-17,25,27H,3,8-15,18H2.
What are the key properties of 3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone?
3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone has a molecular weight of 378.52 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 119073263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).