ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate

C16H18N2O4 — CID 110765068

IUPACethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc3ncoc3c2)C1
InChIInChI=1S/C16H18N2O4/c1-2-21-16(20)12-4-3-7-18(9-12)15(19)11-5-6-13-14(8-11)22-10-17-13/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyZVCMUMHTRXRUHM-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.24
Rot. Bonds3

About ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate

ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate (PubChem CID 110765068) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate
PubChem CID110765068
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc3ncoc3c2)C1
InChIInChI=1S/C16H18N2O4/c1-2-21-16(20)12-4-3-7-18(9-12)15(19)11-5-6-13-14(8-11)22-10-17-13/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyZVCMUMHTRXRUHM-UHFFFAOYSA-N
XLogP2.24
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-3-carboxylate
CID 25163445
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl 1-(4-amino-3-hydroxybenzoyl)piperidine-3-carboxylate
CID 107074308
ethyl (3S)-1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidine-3-carboxylate
CID 94041930
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl (3R)-1-(4-acetyloxybenzoyl)piperidine-3-carboxylate
CID 670738
ethyl (3R)-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-3-carboxylate
CID 31463500
[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-cyclobutylmethanone
CID 110803826
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate (CID 110765068) is ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccc3ncoc3c2)C1.
What is the InChIKey of ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate?
The InChIKey is ZVCMUMHTRXRUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-21-16(20)12-4-3-7-18(9-12)15(19)11-5-6-13-14(8-11)22-10-17-13/h5-6,8,10,12H,2-4,7,9H2,1H3.
What are the key properties of ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate?
ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,3-benzoxazole-6-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 110765068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).