1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

C14H22N4O3 — CID 107497496

IUPAC1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCC1CCCN(C(=O)NCCn2cnc(C(=O)O)c2)C1C
InChIInChI=1S/C14H22N4O3/c1-10-4-3-6-18(11(10)2)14(21)15-5-7-17-8-12(13(19)20)16-9-17/h8-11H,3-7H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyYOMKEDNUINPLQA-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.41
Rot. Bonds4

About 1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107497496) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107497496
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESCC1CCCN(C(=O)NCCn2cnc(C(=O)O)c2)C1C
InChIInChI=1S/C14H22N4O3/c1-10-4-3-6-18(11(10)2)14(21)15-5-7-17-8-12(13(19)20)16-9-17/h8-11H,3-7H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyYOMKEDNUINPLQA-UHFFFAOYSA-N
XLogP1.41
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (CID 107497496) is 1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is CC1CCCN(C(=O)NCCn2cnc(C(=O)O)c2)C1C.
What is the InChIKey of 1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is YOMKEDNUINPLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-4-3-6-18(11(10)2)14(21)15-5-7-17-8-12(13(19)20)16-9-17/h8-11H,3-7H2,1-2H3,(H,15,21)(H,19,20).
What are the key properties of 1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,3-dimethylpiperidine-1-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107497496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).