2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C19H25F3N2O2 — CID 70757156

IUPAC2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3ccc(F)c(F)c3F)CC2)CN1CCCO
InChIInChI=1S/C19H25F3N2O2/c20-15-3-2-14(17(21)18(15)22)12-23-9-6-19(7-10-23)5-4-16(26)24(13-19)8-1-11-25/h2-3,25H,1,4-13H2
InChIKeyRTDUIPOGPZGNFA-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.69
Rot. Bonds5

About 2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70757156) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70757156
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3ccc(F)c(F)c3F)CC2)CN1CCCO
InChIInChI=1S/C19H25F3N2O2/c20-15-3-2-14(17(21)18(15)22)12-23-9-6-19(7-10-23)5-4-16(26)24(13-19)8-1-11-25/h2-3,25H,1,4-13H2
InChIKeyRTDUIPOGPZGNFA-UHFFFAOYSA-N
XLogP2.69
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

9-[(2,3-difluorophenyl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70781347
2-(3-hydroxypropyl)-9-[(4-methylnaphthalen-1-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70747225
2-(2-hydroxyethyl)-9-[(3,4,5-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70782130
4-[[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzonitrile
CID 70782249
2-(3-hydroxypropyl)-9-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70751868
2-(2-hydroxyethyl)-9-[(2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70760143
2-(3-hydroxypropyl)-9-(1H-imidazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756706
2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70747765
2-(2-hydroxyethyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70712571
2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 70754294
9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70706928
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70757156) is 2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(Cc3ccc(F)c(F)c3F)CC2)CN1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RTDUIPOGPZGNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c20-15-3-2-14(17(21)18(15)22)12-23-9-6-19(7-10-23)5-4-16(26)24(13-19)8-1-11-25/h2-3,25H,1,4-13H2.
What are the key properties of 2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 370.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70757156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).