9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione

C17H29N3O2 — CID 59279684

IUPAC9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione
SMILESCC(C)N1C(=O)CC2(CCCN(C3CCN(C)CC3)C2)C1=O
InChIInChI=1S/C17H29N3O2/c1-13(2)20-15(21)11-17(16(20)22)7-4-8-19(12-17)14-5-9-18(3)10-6-14/h13-14H,4-12H2,1-3H3
InChIKeyJYYPZVBLGDLMPW-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.33
Rot. Bonds2

About 9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione

9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione (PubChem CID 59279684) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione
PubChem CID59279684
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione
SMILESCC(C)N1C(=O)CC2(CCCN(C3CCN(C)CC3)C2)C1=O
InChIInChI=1S/C17H29N3O2/c1-13(2)20-15(21)11-17(16(20)22)7-4-8-19(12-17)14-5-9-18(3)10-6-14/h13-14H,4-12H2,1-3H3
InChIKeyJYYPZVBLGDLMPW-UHFFFAOYSA-N
XLogP1.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione (CID 59279684) is 9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione is CC(C)N1C(=O)CC2(CCCN(C3CCN(C)CC3)C2)C1=O.
What is the InChIKey of 9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is JYYPZVBLGDLMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)20-15(21)11-17(16(20)22)7-4-8-19(12-17)14-5-9-18(3)10-6-14/h13-14H,4-12H2,1-3H3.
What are the key properties of 9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione?
9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 307.44 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,9-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 59279684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).