2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C23H26F3N3O2 — CID 118567538

IUPAC2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cnccc2C(F)(F)F)C1=O
InChIInChI=1S/C23H26F3N3O2/c1-17-21(30)29(20-15-27-11-7-19(20)23(24,25)26)16-22(31-17)9-13-28(14-10-22)12-8-18-5-3-2-4-6-18/h2-7,11,15,17H,8-10,12-14,16H2,1H3
InChIKeyLYDQCJJNPZBLSS-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.93
Rot. Bonds4

About 2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118567538) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118567538
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cnccc2C(F)(F)F)C1=O
InChIInChI=1S/C23H26F3N3O2/c1-17-21(30)29(20-15-27-11-7-19(20)23(24,25)26)16-22(31-17)9-13-28(14-10-22)12-8-18-5-3-2-4-6-18/h2-7,11,15,17H,8-10,12-14,16H2,1H3
InChIKeyLYDQCJJNPZBLSS-UHFFFAOYSA-N
XLogP3.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 118562372
CID 118562372
CID 118562402
CID 118562402
CID 118562502
CID 118562502
CID 118562573
CID 118562573
CID 118562598
CID 118562598
CID 118567531
CID 118567531
CID 118567534
CID 118567534
CID 118567543
CID 118567543
CID 118567545
CID 118567545
CID 118567547
CID 118567547
CID 118567672
CID 118567672
CID 118567689
CID 118567689

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118567538) is 2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cnccc2C(F)(F)F)C1=O.
What is the InChIKey of 2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LYDQCJJNPZBLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-17-21(30)29(20-15-27-11-7-19(20)23(24,25)26)16-22(31-17)9-13-28(14-10-22)12-8-18-5-3-2-4-6-18/h2-7,11,15,17H,8-10,12-14,16H2,1H3.
What are the key properties of 2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 433.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(2-phenylethyl)-4-[4-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118567538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).