ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate

C21H29N3O5 — CID 54836624

IUPACethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2cccc(C(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C21H29N3O5/c1-2-29-21(27)16-6-8-23(9-7-16)19(25)15-22-18-5-3-4-17(14-18)20(26)24-10-12-28-13-11-24/h3-5,14,16,22H,2,6-13,15H2,1H3
InChIKeyPEOWSLBGAGXUIW-UHFFFAOYSA-N
MW403.48 g/mol
LogP1.37
Rot. Bonds6

About ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate (PubChem CID 54836624) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate
PubChem CID54836624
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Nameethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNc2cccc(C(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C21H29N3O5/c1-2-29-21(27)16-6-8-23(9-7-16)19(25)15-22-18-5-3-4-17(14-18)20(26)24-10-12-28-13-11-24/h3-5,14,16,22H,2,6-13,15H2,1H3
InChIKeyPEOWSLBGAGXUIW-UHFFFAOYSA-N
XLogP1.37
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate
CID 54830182
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone
CID 54843401
ethyl 1-(3-acetyloxybenzoyl)piperidine-4-carboxylate
CID 6457246
ethyl 1-[3-[(3-hydroxyphenyl)methyl]benzoyl]piperidine-4-carboxylate
CID 143311863
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
ethyl 1-[3-(difluoromethoxy)benzoyl]piperidine-4-carboxylate
CID 51072598
ethyl 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43156402
ethyl 1-[2-[4-methyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxylate
CID 55477689
ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
CID 35512692
2-(3-butan-2-yloxyanilino)-1-morpholin-4-ylethanone
CID 54830369
N-methyl-2-[3-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54836368

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate (CID 54836624) is ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNc2cccc(C(=O)N3CCOCC3)c2)CC1.
What is the InChIKey of ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate?
The InChIKey is PEOWSLBGAGXUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-2-29-21(27)16-6-8-23(9-7-16)19(25)15-22-18-5-3-4-17(14-18)20(26)24-10-12-28-13-11-24/h3-5,14,16,22H,2,6-13,15H2,1H3.
What are the key properties of ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[3-(morpholine-4-carbonyl)anilino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 54836624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).