1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

C19H24N4O5 — CID 122103014

IUPAC1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)C1
InChIInChI=1S/C19H24N4O5/c1-11-7-12(15(24)25)10-22(9-11)17(27)20-13-5-4-6-14(8-13)23-16(26)19(2,3)21-18(23)28/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,20,27)(H,21,28)(H,24,25)
InChIKeyLIZSPAPOJBCTFZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.10
Rot. Bonds3

About 1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122103014) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122103014
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)C1
InChIInChI=1S/C19H24N4O5/c1-11-7-12(15(24)25)10-22(9-11)17(27)20-13-5-4-6-14(8-13)23-16(26)19(2,3)21-18(23)28/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,20,27)(H,21,28)(H,24,25)
InChIKeyLIZSPAPOJBCTFZ-UHFFFAOYSA-N
XLogP2.10
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.10
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

5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102444
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
1-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102071
1-[[3-(benzylcarbamoyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102694
1-[[3-(cyclopentylsulfanylmethyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102453
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
1-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102191
5-methyl-1-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123957

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122103014) is 1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)C1.
What is the InChIKey of 1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is LIZSPAPOJBCTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-11-7-12(15(24)25)10-22(9-11)17(27)20-13-5-4-6-14(8-13)23-16(26)19(2,3)21-18(23)28/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,20,27)(H,21,28)(H,24,25).
What are the key properties of 1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 388.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122103014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).