(2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H27FN2O2 — CID 135374765

IUPAC(2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1CC2(CCN(Cc3ccc(F)cc3)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C19H27FN2O2/c1-14(2)22-13-19(24-15(3)18(22)23)8-10-21(11-9-19)12-16-4-6-17(20)7-5-16/h4-7,14-15H,8-13H2,1-3H3/t15-/m0/s1
InChIKeyNIXUOVZXMQSIST-HNNXBMFYSA-N
MW334.44 g/mol
LogP2.82
Rot. Bonds3

About (2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135374765) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is (2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135374765
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name(2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1CC2(CCN(Cc3ccc(F)cc3)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C19H27FN2O2/c1-14(2)22-13-19(24-15(3)18(22)23)8-10-21(11-9-19)12-16-4-6-17(20)7-5-16/h4-7,14-15H,8-13H2,1-3H3/t15-/m0/s1
InChIKeyNIXUOVZXMQSIST-HNNXBMFYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of (2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135374765) is (2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)N1CC2(CCN(Cc3ccc(F)cc3)CC2)O[C@@H](C)C1=O.
What is the InChIKey of (2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NIXUOVZXMQSIST-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-14(2)22-13-19(24-15(3)18(22)23)8-10-21(11-9-19)12-16-4-6-17(20)7-5-16/h4-7,14-15H,8-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 334.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-9-[(4-fluorophenyl)methyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135374765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).