ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate

C17H21N3O4 — CID 110771796

IUPACethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2ccc3ncoc3c2)CC1
InChIInChI=1S/C17H21N3O4/c1-2-23-17(22)20-7-5-13(6-8-20)19-16(21)10-12-3-4-14-15(9-12)24-11-18-14/h3-4,9,11,13H,2,5-8,10H2,1H3,(H,19,21)
InChIKeyPWUOIOZEDYIKFU-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.11
Rot. Bonds4

About ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 110771796) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID110771796
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Nameethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2ccc3ncoc3c2)CC1
InChIInChI=1S/C17H21N3O4/c1-2-23-17(22)20-7-5-13(6-8-20)19-16(21)10-12-3-4-14-15(9-12)24-11-18-14/h3-4,9,11,13H,2,5-8,10H2,1H3,(H,19,21)
InChIKeyPWUOIOZEDYIKFU-UHFFFAOYSA-N
XLogP2.11
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate (CID 110771796) is ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cc2ccc3ncoc3c2)CC1.
What is the InChIKey of ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is PWUOIOZEDYIKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-2-23-17(22)20-7-5-13(6-8-20)19-16(21)10-12-3-4-14-15(9-12)24-11-18-14/h3-4,9,11,13H,2,5-8,10H2,1H3,(H,19,21).
What are the key properties of ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110771796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).