1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide

C22H31N4O3+ — CID 9325765

IUPAC1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(C[NH+]1CCC(C(=O)Nc3ccccc3)CC1)C2=O
InChIInChI=1S/C22H30N4O3/c1-16-7-5-6-12-22(16)20(28)26(21(29)24-22)15-25-13-10-17(11-14-25)19(27)23-18-8-3-2-4-9-18/h2-4,8-9,16-17H,5-7,10-15H2,1H3,(H,23,27)(H,24,29)/p+1/t16-,22+/m1/s1
InChIKeyZXEOQSTURBQKTM-ZHRRBRCNSA-O
MW399.52 g/mol
LogP1.38
Rot. Bonds4

About 1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide

1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide (PubChem CID 9325765) has the molecular formula C22H31N4O3+ and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide
PubChem CID9325765
Molecular FormulaC22H31N4O3+
Molecular Weight399.52 g/mol
Exact Mass399.24
IUPAC Name1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(C[NH+]1CCC(C(=O)Nc3ccccc3)CC1)C2=O
InChIInChI=1S/C22H30N4O3/c1-16-7-5-6-12-22(16)20(28)26(21(29)24-22)15-25-13-10-17(11-14-25)19(27)23-18-8-3-2-4-9-18/h2-4,8-9,16-17H,5-7,10-15H2,1H3,(H,23,27)(H,24,29)/p+1/t16-,22+/m1/s1
InChIKeyZXEOQSTURBQKTM-ZHRRBRCNSA-O
XLogP1.38
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9325781
(2-anilino-2-oxoethyl) 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480112
(5R,6S)-6-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9450650
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
N-(4-iodophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 5103394
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-3-ylacetamide
CID 4882227
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylphenyl)acetamide
CID 2703483
N-(benzylcarbamoyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703371
N-(4-acetylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2585170
N-(4-acetylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2585168
N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703428

Frequently Asked Questions

What is the IUPAC name of 1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide?
The IUPAC name of 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) is 1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide is C[C@@H]1CCCC[C@]12NC(=O)N(C[NH+]1CCC(C(=O)Nc3ccccc3)CC1)C2=O.
What is the InChIKey of 1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide?
The InChIKey is ZXEOQSTURBQKTM-ZHRRBRCNSA-O. The full InChI is InChI=1S/C22H30N4O3/c1-16-7-5-6-12-22(16)20(28)26(21(29)24-22)15-25-13-10-17(11-14-25)19(27)23-18-8-3-2-4-9-18/h2-4,8-9,16-17H,5-7,10-15H2,1H3,(H,23,27)(H,24,29)/p+1/t16-,22+/m1/s1.
What are the key properties of 1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide?
1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide is sourced from PubChem (CID 9325765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).