(3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one

C25H34FN5O2 — CID 166569314

IUPAC(3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESC[C@H]1CN(CC[C@H]2CC3(CCN(c4ccon4)CC3)C(=O)N2C)CCN1c1ccc(F)cc1
InChIInChI=1S/C25H34FN5O2/c1-19-18-29(14-15-31(19)21-5-3-20(26)4-6-21)11-7-22-17-25(24(32)28(22)2)9-12-30(13-10-25)23-8-16-33-27-23/h3-6,8,16,19,22H,7,9-15,17-18H2,1-2H3/t19-,22-/m0/s1
InChIKeyYAEBLQRIWCUVFK-UGKGYDQZSA-N
MW455.58 g/mol
LogP3.23
Rot. Bonds5

About (3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one

(3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 166569314) has the molecular formula C25H34FN5O2 and a molecular weight of 455.58 g/mol. Its IUPAC name is (3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID166569314
Molecular FormulaC25H34FN5O2
Molecular Weight455.58 g/mol
Exact Mass455.27
IUPAC Name(3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESC[C@H]1CN(CC[C@H]2CC3(CCN(c4ccon4)CC3)C(=O)N2C)CCN1c1ccc(F)cc1
InChIInChI=1S/C25H34FN5O2/c1-19-18-29(14-15-31(19)21-5-3-20(26)4-6-21)11-7-22-17-25(24(32)28(22)2)9-12-30(13-10-25)23-8-16-33-27-23/h3-6,8,16,19,22H,7,9-15,17-18H2,1-2H3/t19-,22-/m0/s1
InChIKeyYAEBLQRIWCUVFK-UGKGYDQZSA-N
XLogP3.23
TPSA56.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-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 (3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 166569314) is (3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one is C[C@H]1CN(CC[C@H]2CC3(CCN(c4ccon4)CC3)C(=O)N2C)CCN1c1ccc(F)cc1.
What is the InChIKey of (3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YAEBLQRIWCUVFK-UGKGYDQZSA-N. The full InChI is InChI=1S/C25H34FN5O2/c1-19-18-29(14-15-31(19)21-5-3-20(26)4-6-21)11-7-22-17-25(24(32)28(22)2)9-12-30(13-10-25)23-8-16-33-27-23/h3-6,8,16,19,22H,7,9-15,17-18H2,1-2H3/t19-,22-/m0/s1.
What are the key properties of (3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
(3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 455.58 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[(3S)-4-(4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]-2-methyl-8-(1,2-oxazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 166569314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).