5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid

C20H20N4O4 — CID 122102761

IUPAC5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)C1
InChIInChI=1S/C20H20N4O4/c1-12-8-13(19(25)26)11-24(10-12)20(27)22-14-5-6-15-17(9-14)28-18(23-15)16-4-2-3-7-21-16/h2-7,9,12-13H,8,10-11H2,1H3,(H,22,27)(H,25,26)
InChIKeyCDZYBQVGDXLALH-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.46
Rot. Bonds3

About 5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122102761) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122102761
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)C1
InChIInChI=1S/C20H20N4O4/c1-12-8-13(19(25)26)11-24(10-12)20(27)22-14-5-6-15-17(9-14)28-18(23-15)16-4-2-3-7-21-16/h2-7,9,12-13H,8,10-11H2,1H3,(H,22,27)(H,25,26)
InChIKeyCDZYBQVGDXLALH-UHFFFAOYSA-N
XLogP3.46
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

(3aR,7aS)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxamide
CID 146150026
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
1-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102191
5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102599
5-methyl-1-[[4-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102704
5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102444
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide
CID 146129396
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
5-methyl-1-[[3-(pyridine-2-carbonylamino)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122353
1-[(6-carbamoyl-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102587
1-[[3-(benzylcarbamoyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102694

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122102761) is 5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)C1.
What is the InChIKey of 5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is CDZYBQVGDXLALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-12-8-13(19(25)26)11-24(10-12)20(27)22-14-5-6-15-17(9-14)28-18(23-15)16-4-2-3-7-21-16/h2-7,9,12-13H,8,10-11H2,1H3,(H,22,27)(H,25,26).
What are the key properties of 5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 380.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122102761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).