ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate

C18H29N3O5 — CID 109133496

IUPACethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC2C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C18H29N3O5/c1-2-25-18(24)21-7-5-12(6-8-21)20-17(23)15-10-14(15)16(22)19-11-13-4-3-9-26-13/h12-15H,2-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyAMVAURDZWAXHSJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP0.65
Rot. Bonds6

About ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate (PubChem CID 109133496) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
PubChem CID109133496
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Nameethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC2C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C18H29N3O5/c1-2-25-18(24)21-7-5-12(6-8-21)20-17(23)15-10-14(15)16(22)19-11-13-4-3-9-26-13/h12-15H,2-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyAMVAURDZWAXHSJ-UHFFFAOYSA-N
XLogP0.65
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(butylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109131267
ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109146929
ethyl 4-[[N'-[2-(oxan-2-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110018674
ethyl 4-[[N'-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111036020
ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109134001
ethyl 4-[[N'-[3-(oxan-2-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110033296
ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate
CID 110706653
ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109132417
ethyl 4-[4-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45214419
ethyl 4-[2-(oxan-2-yl)ethylamino]piperidine-1-carboxylate
CID 103993007
tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 41242425
1-N-(2-methylpropyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109131415

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate (CID 109133496) is ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CC2C(=O)NCC2CCCO2)CC1.
What is the InChIKey of ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
The InChIKey is AMVAURDZWAXHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5/c1-2-25-18(24)21-7-5-12(6-8-21)20-17(23)15-10-14(15)16(22)19-11-13-4-3-9-26-13/h12-15H,2-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109133496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).