ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate

C20H27N3O5 — CID 155505002

IUPACethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)CC1CCCN(c2nc3cc(OC)ccc3o2)C1
InChIInChI=1S/C20H27N3O5/c1-3-27-19(25)8-9-21-18(24)11-14-5-4-10-23(13-14)20-22-16-12-15(26-2)6-7-17(16)28-20/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,21,24)
InChIKeyNSJJMXKXHKTLKB-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.51
Rot. Bonds8

About ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate

ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate (PubChem CID 155505002) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate
PubChem CID155505002
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Nameethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)CC1CCCN(c2nc3cc(OC)ccc3o2)C1
InChIInChI=1S/C20H27N3O5/c1-3-27-19(25)8-9-21-18(24)11-14-5-4-10-23(13-14)20-22-16-12-15(26-2)6-7-17(16)28-20/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,21,24)
InChIKeyNSJJMXKXHKTLKB-UHFFFAOYSA-N
XLogP2.51
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154820253
N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154820589
ethyl 3-[[2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 154563768
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 154569342
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154567874
ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 154564373
N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154818013
N-[(3-cyanophenyl)methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154821408
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
CID 154570710
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 154822976
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 154571521
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide
CID 154571480

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate (CID 155505002) is ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate is CCOC(=O)CCNC(=O)CC1CCCN(c2nc3cc(OC)ccc3o2)C1.
What is the InChIKey of ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate?
The InChIKey is NSJJMXKXHKTLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-3-27-19(25)8-9-21-18(24)11-14-5-4-10-23(13-14)20-22-16-12-15(26-2)6-7-17(16)28-20/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,21,24).
What are the key properties of ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate?
ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate has a molecular weight of 389.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate is sourced from PubChem (CID 155505002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).