5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

C18H21N3O4 — CID 122102599

IUPAC5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)N2CC(C)CC(C(=O)O)C2)cc1-c1ncco1
InChIInChI=1S/C18H21N3O4/c1-11-7-13(17(22)23)10-21(9-11)18(24)20-14-4-3-12(2)15(8-14)16-19-5-6-25-16/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyYPMHYBAIUCHXOO-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.22
Rot. Bonds3

About 5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122102599) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122102599
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)N2CC(C)CC(C(=O)O)C2)cc1-c1ncco1
InChIInChI=1S/C18H21N3O4/c1-11-7-13(17(22)23)10-21(9-11)18(24)20-14-4-3-12(2)15(8-14)16-19-5-6-25-16/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyYPMHYBAIUCHXOO-UHFFFAOYSA-N
XLogP3.22
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[[4-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102704
5-methyl-1-[(4-methyl-3-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122101780
1-[(4-methoxycarbonyl-3-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102328
1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122087034
5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63654758
(2R)-2-ethyl-2-methyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]morpholine-4-carboxamide
CID 99829913
1-[[4-(dimethylcarbamoyl)-3-methylphenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102456
1-[(6-carbamoyl-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102587
5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102761
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 166238376
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122102599) is 5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is Cc1ccc(NC(=O)N2CC(C)CC(C(=O)O)C2)cc1-c1ncco1.
What is the InChIKey of 5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is YPMHYBAIUCHXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-7-13(17(22)23)10-21(9-11)18(24)20-14-4-3-12(2)15(8-14)16-19-5-6-25-16/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122102599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).