1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid

C14H18N2O4 — CID 63123624

IUPAC1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C14H18N2O4/c1-14(13(18)19)4-6-16(7-5-14)12(17)10-8-11(20-15-10)9-2-3-9/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyATEZXVFNWOXSPE-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.88
Rot. Bonds3

About 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid

1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123624) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63123624
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C14H18N2O4/c1-14(13(18)19)4-6-16(7-5-14)12(17)10-8-11(20-15-10)9-2-3-9/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeyATEZXVFNWOXSPE-UHFFFAOYSA-N
XLogP1.88
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113250457
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258478
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-methoxypyrrolidine-3-carboxylic acid
CID 154735717
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
2-(cyclopropylmethyl)-8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686898
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]methanone
CID 119042721
(5-cyclopropyl-1,2-oxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 22427513
8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686885
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
CID 95800988

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid (CID 63123624) is 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2cc(C3CC3)on2)CC1.
What is the InChIKey of 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is ATEZXVFNWOXSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(13(18)19)4-6-16(7-5-14)12(17)10-8-11(20-15-10)9-2-3-9/h8-9H,2-7H2,1H3,(H,18,19).
What are the key properties of 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).