1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid

C12H18N4O3 — CID 113431054

IUPAC1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C12H18N4O3/c1-12(10(17)18)4-2-3-7-16(12)11(19)15-8-9-13-5-6-14-9/h5-6H,2-4,7-8H2,1H3,(H,13,14)(H,15,19)(H,17,18)
InChIKeyYTIYPXMJDFRMLX-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.95
Rot. Bonds3

About 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid

1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 113431054) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID113431054
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C12H18N4O3/c1-12(10(17)18)4-2-3-7-16(12)11(19)15-8-9-13-5-6-14-9/h5-6H,2-4,7-8H2,1H3,(H,13,14)(H,15,19)(H,17,18)
InChIKeyYTIYPXMJDFRMLX-UHFFFAOYSA-N
XLogP0.95
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597873
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
2-methyl-1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64523521
2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597815
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106374874
2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79233219
2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106404494
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide
CID 79163270

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid (CID 113431054) is 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)NCc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is YTIYPXMJDFRMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(10(17)18)4-2-3-7-16(12)11(19)15-8-9-13-5-6-14-9/h5-6H,2-4,7-8H2,1H3,(H,13,14)(H,15,19)(H,17,18).
What are the key properties of 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid?
1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 113431054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).