(5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C19H29N3O5 — CID 95266831

IUPAC(5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCCC[C@@H]1C1OCCO1)C2=O
InChIInChI=1S/C19H29N3O5/c1-13-6-2-4-8-19(13)17(24)22(18(25)20-19)12-15(23)21-9-5-3-7-14(21)16-26-10-11-27-16/h13-14,16H,2-12H2,1H3,(H,20,25)/t13-,14-,19+/m1/s1
InChIKeyQMCQUSJLXCMEOJ-LPMFXHHGSA-N
MW379.46 g/mol
LogP1.24
Rot. Bonds3

About (5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 95266831) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is (5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID95266831
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Name(5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCCC[C@@H]1C1OCCO1)C2=O
InChIInChI=1S/C19H29N3O5/c1-13-6-2-4-8-19(13)17(24)22(18(25)20-19)12-15(23)21-9-5-3-7-14(21)16-26-10-11-27-16/h13-14,16H,2-12H2,1H3,(H,20,25)/t13-,14-,19+/m1/s1
InChIKeyQMCQUSJLXCMEOJ-LPMFXHHGSA-N
XLogP1.24
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R,6R)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571777
(5R,6S)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571778
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119651115
(5S,6S)-6-methyl-3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94205648
(5R,6R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11892777
3-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 86817043
(5S,6R)-3-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 124718752
N,N-dimethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9208151
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224
N-carbamoyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703407
3-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119423708

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 95266831) is (5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCCC[C@@H]1C1OCCO1)C2=O.
What is the InChIKey of (5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QMCQUSJLXCMEOJ-LPMFXHHGSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-13-6-2-4-8-19(13)17(24)22(18(25)20-19)12-15(23)21-9-5-3-7-14(21)16-26-10-11-27-16/h13-14,16H,2-12H2,1H3,(H,20,25)/t13-,14-,19+/m1/s1.
What are the key properties of (5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 379.46 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 95266831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).