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

C12H18N4O3 — CID 63005449

IUPAC8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)C3CCNC3)CC2)N1
InChIInChI=1S/C12H18N4O3/c17-9(8-1-4-13-7-8)16-5-2-12(3-6-16)10(18)14-11(19)15-12/h8,13H,1-7H2,(H2,14,15,18,19)
InChIKeyOMLWXEANDBPMMQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.20
Rot. Bonds1

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

8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 63005449) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID63005449
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)C3CCNC3)CC2)N1
InChIInChI=1S/C12H18N4O3/c17-9(8-1-4-13-7-8)16-5-2-12(3-6-16)10(18)14-11(19)15-12/h8,13H,1-7H2,(H2,14,15,18,19)
InChIKeyOMLWXEANDBPMMQ-UHFFFAOYSA-N
XLogP-1.20
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 81128328
8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 114826313
8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56809745
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82908979
(4,4-dimethylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119803734
8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 63122069
[4-(fluoromethyl)-4-methylpiperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 129495751
4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63125584
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
(3aS,6aR)-5-[(3R)-pyrrolidine-3-carbonyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129354111
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424

Frequently Asked Questions

What is the IUPAC name of 8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 63005449) is 8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)C3CCNC3)CC2)N1.
What is the InChIKey of 8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OMLWXEANDBPMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-9(8-1-4-13-7-8)16-5-2-12(3-6-16)10(18)14-11(19)15-12/h8,13H,1-7H2,(H2,14,15,18,19).
What are the key properties of 8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of -1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 63005449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).