1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide

C22H30N5O4+ — CID 9134484

IUPAC1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide
SMILESO=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C22H29N5O4/c28-18(25-27-20(30)22(24-21(27)31)11-5-2-6-12-22)15-26-13-9-16(10-14-26)19(29)23-17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2,(H,23,29)(H,24,31)(H,25,28)/p+1
InChIKeyQBAGAXPAGQVOJA-UHFFFAOYSA-O
MW428.51 g/mol
LogP0.21
Rot. Bonds5

About 1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide

1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide (PubChem CID 9134484) has the molecular formula C22H30N5O4+ and a molecular weight of 428.51 g/mol. Its IUPAC name is 1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide
PubChem CID9134484
Molecular FormulaC22H30N5O4+
Molecular Weight428.51 g/mol
Exact Mass428.23
IUPAC Name1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide
SMILESO=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C22H29N5O4/c28-18(25-27-20(30)22(24-21(27)31)11-5-2-6-12-22)15-26-13-9-16(10-14-26)19(29)23-17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2,(H,23,29)(H,24,31)(H,25,28)/p+1
InChIKeyQBAGAXPAGQVOJA-UHFFFAOYSA-O
XLogP0.21
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 8539357
1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9134732
1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9325765
2-[benzyl(cyclopropyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 32512117
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] benzoate
CID 7874358
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-(4-phenylcyclohexyl)amino]acetamide
CID 47547029
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8754038
1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9325781
methyl 4-[[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate
CID 9134299
2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27056879
1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 40880368
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 16500399

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide (CID 9134484) is 1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide is O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide?
The InChIKey is QBAGAXPAGQVOJA-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N5O4/c28-18(25-27-20(30)22(24-21(27)31)11-5-2-6-12-22)15-26-13-9-16(10-14-26)19(29)23-17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2,(H,23,29)(H,24,31)(H,25,28)/p+1.
What are the key properties of 1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide?
1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide is sourced from PubChem (CID 9134484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).