1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C15H25N5O3 — CID 122123080

IUPAC1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCc2cnc(N(C)C)n2C)C1
InChIInChI=1S/C15H25N5O3/c1-10-5-11(13(21)22)9-20(8-10)15(23)17-7-12-6-16-14(18(2)3)19(12)4/h6,10-11H,5,7-9H2,1-4H3,(H,17,23)(H,21,22)
InChIKeyNOZRFULVYFAHBZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.74
Rot. Bonds4

About 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123080) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123080
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCc2cnc(N(C)C)n2C)C1
InChIInChI=1S/C15H25N5O3/c1-10-5-11(13(21)22)9-20(8-10)15(23)17-7-12-6-16-14(18(2)3)19(12)4/h6,10-11H,5,7-9H2,1-4H3,(H,17,23)(H,21,22)
InChIKeyNOZRFULVYFAHBZ-UHFFFAOYSA-N
XLogP0.74
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123080) is 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCc2cnc(N(C)C)n2C)C1.
What is the InChIKey of 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is NOZRFULVYFAHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-10-5-11(13(21)22)9-20(8-10)15(23)17-7-12-6-16-14(18(2)3)19(12)4/h6,10-11H,5,7-9H2,1-4H3,(H,17,23)(H,21,22).
What are the key properties of 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 323.40 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).