3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C18H31N3O3 — CID 47556184

IUPAC3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCN(CC(O)CN2C(=O)NC3(CCCCC3C)C2=O)CC1
InChIInChI=1S/C18H31N3O3/c1-13-6-9-20(10-7-13)11-15(22)12-21-16(23)18(19-17(21)24)8-4-3-5-14(18)2/h13-15,22H,3-12H2,1-2H3,(H,19,24)
InChIKeyNCTANOVBUYBIBA-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.58
Rot. Bonds4

About 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 47556184) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID47556184
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCN(CC(O)CN2C(=O)NC3(CCCCC3C)C2=O)CC1
InChIInChI=1S/C18H31N3O3/c1-13-6-9-20(10-7-13)11-15(22)12-21-16(23)18(19-17(21)24)8-4-3-5-14(18)2/h13-15,22H,3-12H2,1-2H3,(H,19,24)
InChIKeyNCTANOVBUYBIBA-UHFFFAOYSA-N
XLogP1.58
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 47556102
3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 95582367
(5R,6S)-3-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51924278
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60585200
2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione
CID 95173000
N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7043970
N-(4-methylcyclohexyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7043971
(5S,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385222
(5R,6R)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385224
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 110932644
6-methyl-3-propyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17429707

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 47556184) is 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCN(CC(O)CN2C(=O)NC3(CCCCC3C)C2=O)CC1.
What is the InChIKey of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is NCTANOVBUYBIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-13-6-9-20(10-7-13)11-15(22)12-21-16(23)18(19-17(21)24)8-4-3-5-14(18)2/h13-15,22H,3-12H2,1-2H3,(H,19,24).
What are the key properties of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 337.46 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 47556184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).