ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate

C24H34N4O6 — CID 24644255

IUPACethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(C(=O)NC3CCN(C(=O)OCC)CC3)cc2)CC1
InChIInChI=1S/C24H34N4O6/c1-3-33-23(31)27-13-9-19(10-14-27)25-21(29)17-5-7-18(8-6-17)22(30)26-20-11-15-28(16-12-20)24(32)34-4-2/h5-8,19-20H,3-4,9-16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyYFOIDXFHLLOTDM-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.39
Rot. Bonds6

About ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate (PubChem CID 24644255) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
PubChem CID24644255
Molecular FormulaC24H34N4O6
Molecular Weight474.56 g/mol
Exact Mass474.25
IUPAC Nameethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(C(=O)NC3CCN(C(=O)OCC)CC3)cc2)CC1
InChIInChI=1S/C24H34N4O6/c1-3-33-23(31)27-13-9-19(10-14-27)25-21(29)17-5-7-18(8-6-17)22(30)26-20-11-15-28(16-12-20)24(32)34-4-2/h5-8,19-20H,3-4,9-16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyYFOIDXFHLLOTDM-UHFFFAOYSA-N
XLogP2.39
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

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CID 18120666
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ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate
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ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
ethyl 4-[(1-tert-butylpyrrole-3-carbonyl)amino]piperidine-1-carboxylate
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ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
CID 47990681
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
ethyl 4-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]amino]piperidine-1-carboxylate
CID 42349867

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate (CID 24644255) is ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(C(=O)NC3CCN(C(=O)OCC)CC3)cc2)CC1.
What is the InChIKey of ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is YFOIDXFHLLOTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O6/c1-3-33-23(31)27-13-9-19(10-14-27)25-21(29)17-5-7-18(8-6-17)22(30)26-20-11-15-28(16-12-20)24(32)34-4-2/h5-8,19-20H,3-4,9-16H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 474.56 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 24644255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).