8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C19H27N5O4 — CID 55884903

IUPAC8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1noc(C2CCN(C(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)n1
InChIInChI=1S/C19H27N5O4/c1-12-3-7-19(8-4-12)17(26)24(18(27)21-19)11-15(25)23-9-5-14(6-10-23)16-20-13(2)22-28-16/h12,14H,3-11H2,1-2H3,(H,21,27)
InChIKeyDNLVJYMMMRMFJN-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.58
Rot. Bonds3

About 8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 55884903) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID55884903
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1noc(C2CCN(C(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)n1
InChIInChI=1S/C19H27N5O4/c1-12-3-7-19(8-4-12)17(26)24(18(27)21-19)11-15(25)23-9-5-14(6-10-23)16-20-13(2)22-28-16/h12,14H,3-11H2,1-2H3,(H,21,27)
InChIKeyDNLVJYMMMRMFJN-UHFFFAOYSA-N
XLogP1.58
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 55884903) is 8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1noc(C2CCN(C(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)n1.
What is the InChIKey of 8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is DNLVJYMMMRMFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-12-3-7-19(8-4-12)17(26)24(18(27)21-19)11-15(25)23-9-5-14(6-10-23)16-20-13(2)22-28-16/h12,14H,3-11H2,1-2H3,(H,21,27).
What are the key properties of 8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 389.46 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 55884903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).