1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid

C17H19N3O5 — CID 120512322

IUPAC1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid
SMILESCC1(c2cccc(C(=O)N3CCC(C(=O)O)CC3)c2)NC(=O)NC1=O
InChIInChI=1S/C17H19N3O5/c1-17(15(24)18-16(25)19-17)12-4-2-3-11(9-12)13(21)20-7-5-10(6-8-20)14(22)23/h2-4,9-10H,5-8H2,1H3,(H,22,23)(H2,18,19,24,25)
InChIKeyVSBHQCCFVBARMS-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.68
Rot. Bonds3

About 1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid

1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid (PubChem CID 120512322) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid
PubChem CID120512322
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid
SMILESCC1(c2cccc(C(=O)N3CCC(C(=O)O)CC3)c2)NC(=O)NC1=O
InChIInChI=1S/C17H19N3O5/c1-17(15(24)18-16(25)19-17)12-4-2-3-11(9-12)13(21)20-7-5-10(6-8-20)14(22)23/h2-4,9-10H,5-8H2,1H3,(H,22,23)(H2,18,19,24,25)
InChIKeyVSBHQCCFVBARMS-UHFFFAOYSA-N
XLogP0.68
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.68
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

6-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514764
5-methyl-5-[3-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 146129813
5-[3-(8-bromo-6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 154850198
1-(2,2-dimethylpropanoyl)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]piperidine-4-carboxamide
CID 51949323
2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid
CID 120513707
5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 154863979
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide
CID 97021835
4-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]butanoic acid
CID 120513436
(5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 95971979
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 138044244
2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid
CID 120522038

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid (CID 120512322) is 1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid is CC1(c2cccc(C(=O)N3CCC(C(=O)O)CC3)c2)NC(=O)NC1=O.
What is the InChIKey of 1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is VSBHQCCFVBARMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-17(15(24)18-16(25)19-17)12-4-2-3-11(9-12)13(21)20-7-5-10(6-8-20)14(22)23/h2-4,9-10H,5-8H2,1H3,(H,22,23)(H2,18,19,24,25).
What are the key properties of 1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid?
1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120512322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).