(4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one

C18H20F2N2O2 — CID 92568241

IUPAC(4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(C(=O)C3CC3)C[C@H]2c2ccc(F)c(F)c2)N1
InChIInChI=1S/C18H20F2N2O2/c19-14-6-5-12(8-15(14)20)13-9-22(17(24)11-3-4-11)10-18(13)7-1-2-16(23)21-18/h5-6,8,11,13H,1-4,7,9-10H2,(H,21,23)/t13-,18+/m0/s1
InChIKeyNZAFEBHYZCMFRF-SCLBCKFNSA-N
MW334.37 g/mol
LogP2.34
Rot. Bonds2

About (4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 92568241) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is (4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one
PubChem CID92568241
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(C(=O)C3CC3)C[C@H]2c2ccc(F)c(F)c2)N1
InChIInChI=1S/C18H20F2N2O2/c19-14-6-5-12(8-15(14)20)13-9-22(17(24)11-3-4-11)10-18(13)7-1-2-16(23)21-18/h5-6,8,11,13H,1-4,7,9-10H2,(H,21,23)/t13-,18+/m0/s1
InChIKeyNZAFEBHYZCMFRF-SCLBCKFNSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-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 (4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one (CID 92568241) is (4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one is O=C1CCC[C@]2(CN(C(=O)C3CC3)C[C@H]2c2ccc(F)c(F)c2)N1.
What is the InChIKey of (4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is NZAFEBHYZCMFRF-SCLBCKFNSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-14-6-5-12(8-15(14)20)13-9-22(17(24)11-3-4-11)10-18(13)7-1-2-16(23)21-18/h5-6,8,11,13H,1-4,7,9-10H2,(H,21,23)/t13-,18+/m0/s1.
What are the key properties of (4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 334.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 92568241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).