ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate

C26H36N4O7 — CID 23938498

IUPACethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2(NC(=O)CCC(=O)c3ccc4c(c3)OCCO4)CCNCC2)CC1
InChIInChI=1S/C26H36N4O7/c1-2-35-25(34)30-13-7-19(8-14-30)28-24(33)26(9-11-27-12-10-26)29-23(32)6-4-20(31)18-3-5-21-22(17-18)37-16-15-36-21/h3,5,17,19,27H,2,4,6-16H2,1H3,(H,28,33)(H,29,32)
InChIKeyAGIUIRZMUCNKBH-UHFFFAOYSA-N
MW516.60 g/mol
LogP1.40
Rot. Bonds8

About ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 23938498) has the molecular formula C26H36N4O7 and a molecular weight of 516.60 g/mol. Its IUPAC name is ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID23938498
Molecular FormulaC26H36N4O7
Molecular Weight516.60 g/mol
Exact Mass516.26
IUPAC Nameethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2(NC(=O)CCC(=O)c3ccc4c(c3)OCCO4)CCNCC2)CC1
InChIInChI=1S/C26H36N4O7/c1-2-35-25(34)30-13-7-19(8-14-30)28-24(33)26(9-11-27-12-10-26)29-23(32)6-4-20(31)18-3-5-21-22(17-18)37-16-15-36-21/h3,5,17,19,27H,2,4,6-16H2,1H3,(H,28,33)(H,29,32)
InChIKeyAGIUIRZMUCNKBH-UHFFFAOYSA-N
XLogP1.40
TPSA135.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 23933867
ethyl 4-[[4-[(2-pyrrol-1-ylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 23995542
ethyl 4-[[4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 74224361
ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 3734245
ethyl 4-[[(2S)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 25290631
ethyl 4-[[4-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 74228365
N-cyclopentyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide
CID 17453954
N-cyclohexyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide
CID 18108649
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[3-(1,3-benzodioxol-5-ylmethylamino)propanoylamino]piperidine-1-carboxylate
CID 109022740
ethyl 4-[[2-(1,3-benzodioxol-5-ylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003787
ethyl 4-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368868

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate (CID 23938498) is ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2(NC(=O)CCC(=O)c3ccc4c(c3)OCCO4)CCNCC2)CC1.
What is the InChIKey of ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is AGIUIRZMUCNKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O7/c1-2-35-25(34)30-13-7-19(8-14-30)28-24(33)26(9-11-27-12-10-26)29-23(32)6-4-20(31)18-3-5-21-22(17-18)37-16-15-36-21/h3,5,17,19,27H,2,4,6-16H2,1H3,(H,28,33)(H,29,32).
What are the key properties of ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 516.60 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 23938498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).