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

C13H20N4O3 — CID 81128328

IUPAC8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)[C@@H]3CCCNC3)CC2)N1
InChIInChI=1S/C13H20N4O3/c18-10(9-2-1-5-14-8-9)17-6-3-13(4-7-17)11(19)15-12(20)16-13/h9,14H,1-8H2,(H2,15,16,19,20)/t9-/m1/s1
InChIKeyYGPKEGHYHBACLM-SECBINFHSA-N
MW280.33 g/mol
LogP-0.81
Rot. Bonds1

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

8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 81128328) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID81128328
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)[C@@H]3CCCNC3)CC2)N1
InChIInChI=1S/C13H20N4O3/c18-10(9-2-1-5-14-8-9)17-6-3-13(4-7-17)11(19)15-12(20)16-13/h9,14H,1-8H2,(H2,15,16,19,20)/t9-/m1/s1
InChIKeyYGPKEGHYHBACLM-SECBINFHSA-N
XLogP-0.81
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.81
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-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 63005449
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 154582456
8-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56809745
[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129491032
8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 114826313
4-ethyl-1-[(3S)-piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 81141638
1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126106
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
CID 81141474
8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82908979
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567

Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 81128328) is 8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)[C@@H]3CCCNC3)CC2)N1.
What is the InChIKey of 8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is YGPKEGHYHBACLM-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N4O3/c18-10(9-2-1-5-14-8-9)17-6-3-13(4-7-17)11(19)15-12(20)16-13/h9,14H,1-8H2,(H2,15,16,19,20)/t9-/m1/s1.
What are the key properties of 8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 280.33 g/mol, XLogP of -0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 81128328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).