1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid

C15H19N3O4 — CID 122119371

IUPAC1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2ccc(NC(N)=O)cc2)C1
InChIInChI=1S/C15H19N3O4/c1-9-6-11(14(20)21)8-18(7-9)13(19)10-2-4-12(5-3-10)17-15(16)22/h2-5,9,11H,6-8H2,1H3,(H,20,21)(H3,16,17,22)
InChIKeySHLZEEIOCIGGHM-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.36
Rot. Bonds3

About 1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid

1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119371) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122119371
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2ccc(NC(N)=O)cc2)C1
InChIInChI=1S/C15H19N3O4/c1-9-6-11(14(20)21)8-18(7-9)13(19)10-2-4-12(5-3-10)17-15(16)22/h2-5,9,11H,6-8H2,1H3,(H,20,21)(H3,16,17,22)
InChIKeySHLZEEIOCIGGHM-UHFFFAOYSA-N
XLogP1.36
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-[4-(methylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 122119085
5-methyl-1-(4-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122119170
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]urea
CID 42915501
5-methyl-1-(4-nitrobenzoyl)piperidine-3-carboxylic acid
CID 122119619
1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496
1-[4-(2-methoxyethylsulfamoyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119091
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
1-(4-butylsulfonylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117138
5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid
CID 122118740
1-(5-iodothiophene-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118299
1-(1,3-dihydro-2-benzofuran-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118428
1-[4-(3-methoxypropoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118061

Frequently Asked Questions

What is the IUPAC name of 1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid (CID 122119371) is 1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)c2ccc(NC(N)=O)cc2)C1.
What is the InChIKey of 1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is SHLZEEIOCIGGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9-6-11(14(20)21)8-18(7-9)13(19)10-2-4-12(5-3-10)17-15(16)22/h2-5,9,11H,6-8H2,1H3,(H,20,21)(H3,16,17,22).
What are the key properties of 1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid?
1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(carbamoylamino)benzoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).