ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate

C23H34N4O5S — CID 3734245

IUPACethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2(NC(=O)c3ccc(SC)cc3OC)CCNCC2)CC1
InChIInChI=1S/C23H34N4O5S/c1-4-32-22(30)27-13-7-16(8-14-27)25-21(29)23(9-11-24-12-10-23)26-20(28)18-6-5-17(33-3)15-19(18)31-2/h5-6,15-16,24H,4,7-14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyBMTCLROWFFMOAP-UHFFFAOYSA-N
MW478.62 g/mol
LogP2.01
Rot. Bonds7

About ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 3734245) has the molecular formula C23H34N4O5S and a molecular weight of 478.62 g/mol. Its IUPAC name is ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID3734245
Molecular FormulaC23H34N4O5S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC Nameethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2(NC(=O)c3ccc(SC)cc3OC)CCNCC2)CC1
InChIInChI=1S/C23H34N4O5S/c1-4-32-22(30)27-13-7-16(8-14-27)25-21(29)23(9-11-24-12-10-23)26-20(28)18-6-5-17(33-3)15-19(18)31-2/h5-6,15-16,24H,4,7-14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyBMTCLROWFFMOAP-UHFFFAOYSA-N
XLogP2.01
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

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CID 23933867
ethyl 4-[[4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 74224361
ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 23938498
ethyl 4-[[4-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 74228365
ethyl 4-[2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311858
ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
CID 110761607
ethyl 4-[2-chloro-6-[(2-methoxy-4-methylsulfanylbenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 5312100
[2-(cyclopentylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2338053
ethyl 4-[[4-[(2-nitrophenyl)methylsulfonylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 25038778
ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 23995478
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate (CID 3734245) is ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2(NC(=O)c3ccc(SC)cc3OC)CCNCC2)CC1.
What is the InChIKey of ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is BMTCLROWFFMOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5S/c1-4-32-22(30)27-13-7-16(8-14-27)25-21(29)23(9-11-24-12-10-23)26-20(28)18-6-5-17(33-3)15-19(18)31-2/h5-6,15-16,24H,4,7-14H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 478.62 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 3734245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).