8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H28N6O3 — CID 110084159

IUPAC8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(c1cnccn1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1
InChIInChI=1S/C24H28N6O3/c31-21(20-16-25-10-11-26-20)29-12-6-19(7-13-29)30-22(32)24(27-23(30)33)8-14-28(15-9-24)17-18-4-2-1-3-5-18/h1-5,10-11,16,19H,6-9,12-15,17H2,(H,27,33)
InChIKeyFCPNQKLQAHRJKH-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.67
Rot. Bonds4

About 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110084159) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110084159
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(c1cnccn1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1
InChIInChI=1S/C24H28N6O3/c31-21(20-16-25-10-11-26-20)29-12-6-19(7-13-29)30-22(32)24(27-23(30)33)8-14-28(15-9-24)17-18-4-2-1-3-5-18/h1-5,10-11,16,19H,6-9,12-15,17H2,(H,27,33)
InChIKeyFCPNQKLQAHRJKH-UHFFFAOYSA-N
XLogP1.67
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084297
8-benzyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084171
8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084151
8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 167995797
3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110075843
8-benzoyl-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620621
(3R)-1-benzyl-3-methyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]azepan-2-one
CID 95832139
3-(1-benzoylpiperidin-4-yl)-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084226
8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 129360807
3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084271
3-[1-(2-methylcyclopropanecarbonyl)piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084272
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110084159) is 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C(c1cnccn1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1.
What is the InChIKey of 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is FCPNQKLQAHRJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c31-21(20-16-25-10-11-26-20)29-12-6-19(7-13-29)30-22(32)24(27-23(30)33)8-14-28(15-9-24)17-18-4-2-1-3-5-18/h1-5,10-11,16,19H,6-9,12-15,17H2,(H,27,33).
What are the key properties of 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 448.53 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110084159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).