(5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate

C22H22N2O4 — CID 27426027

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
SMILESCc1cc(COC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)no1
InChIInChI=1S/C22H22N2O4/c1-15-13-18(23-28-15)14-27-22(26)17-9-11-24(12-10-17)21(25)20-8-4-6-16-5-2-3-7-19(16)20/h2-8,13,17H,9-12,14H2,1H3
InChIKeyWRMUVWJRESWDFV-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.73
Rot. Bonds4

About (5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate

(5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate (PubChem CID 27426027) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
PubChem CID27426027
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
SMILESCc1cc(COC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)no1
InChIInChI=1S/C22H22N2O4/c1-15-13-18(23-28-15)14-27-22(26)17-9-11-24(12-10-17)21(25)20-8-4-6-16-5-2-3-7-19(16)20/h2-8,13,17H,9-12,14H2,1H3
InChIKeyWRMUVWJRESWDFV-UHFFFAOYSA-N
XLogP3.73
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
CID 55430074
(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 27543624
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739818
[4-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 43055459
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
CID 47012359
naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711326
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
(3,5-dimethylpiperidin-1-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 51239988
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
(2-methylmorpholin-4-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 47016285

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate (CID 27426027) is (5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate is Cc1cc(COC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate?
The InChIKey is WRMUVWJRESWDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-13-18(23-28-15)14-27-22(26)17-9-11-24(12-10-17)21(25)20-8-4-6-16-5-2-3-7-19(16)20/h2-8,13,17H,9-12,14H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate?
(5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 27426027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).