8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H22N4O3 — CID 63122069

IUPAC8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CCNCC1
InChIInChI=1S/C14H22N4O3/c1-13(2-6-15-7-3-13)11(20)18-8-4-14(5-9-18)10(19)16-12(21)17-14/h15H,2-9H2,1H3,(H2,16,17,19,21)
InChIKeyAMJWBLFMNYRDFS-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.42
Rot. Bonds1

About 8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 63122069) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID63122069
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CCNCC1
InChIInChI=1S/C14H22N4O3/c1-13(2-6-15-7-3-13)11(20)18-8-4-14(5-9-18)10(19)16-12(21)17-14/h15H,2-9H2,1H3,(H2,16,17,19,21)
InChIKeyAMJWBLFMNYRDFS-UHFFFAOYSA-N
XLogP-0.42
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 63122069) is 8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CCNCC1.
What is the InChIKey of 8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is AMJWBLFMNYRDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-13(2-6-15-7-3-13)11(20)18-8-4-14(5-9-18)10(19)16-12(21)17-14/h15H,2-9H2,1H3,(H2,16,17,19,21).
What are the key properties of 8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 294.35 g/mol, XLogP of -0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 63122069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).