4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one

C20H28N4O3 — CID 95722186

IUPAC4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)[C@H]3CC4(CCNCC4)CN3)CC2=O)c1
InChIInChI=1S/C20H28N4O3/c1-27-16-4-2-3-15(11-16)24-10-9-23(13-18(24)25)19(26)17-12-20(14-22-17)5-7-21-8-6-20/h2-4,11,17,21-22H,5-10,12-14H2,1H3/t17-/m1/s1
InChIKeyMNBVGJGVRWJNOU-QGZVFWFLSA-N
MW372.47 g/mol
LogP0.60
Rot. Bonds3

About 4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one

4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one (PubChem CID 95722186) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one
PubChem CID95722186
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)[C@H]3CC4(CCNCC4)CN3)CC2=O)c1
InChIInChI=1S/C20H28N4O3/c1-27-16-4-2-3-15(11-16)24-10-9-23(13-18(24)25)19(26)17-12-20(14-22-17)5-7-21-8-6-20/h2-4,11,17,21-22H,5-10,12-14H2,1H3/t17-/m1/s1
InChIKeyMNBVGJGVRWJNOU-QGZVFWFLSA-N
XLogP0.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-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

1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758
4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 72901150
4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70717844
3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 82484817
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
1-(3-methoxyphenyl)-4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-one
CID 70788872
4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 91836779
1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97188104
4-[2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96579896
4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96576006

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one (CID 95722186) is 4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one is COc1cccc(N2CCN(C(=O)[C@H]3CC4(CCNCC4)CN3)CC2=O)c1.
What is the InChIKey of 4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one?
The InChIKey is MNBVGJGVRWJNOU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-27-16-4-2-3-15(11-16)24-10-9-23(13-18(24)25)19(26)17-12-20(14-22-17)5-7-21-8-6-20/h2-4,11,17,21-22H,5-10,12-14H2,1H3/t17-/m1/s1.
What are the key properties of 4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one?
4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one has a molecular weight of 372.47 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-2,8-diazaspiro[4.5]decane-3-carbonyl]-1-(3-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 95722186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).