ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate

C20H36N2O4 — CID 142693827

IUPACethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C20H36N2O4/c1-5-25-18(23)17-7-6-11-21(15-17)12-8-16-9-13-22(14-10-16)19(24)26-20(2,3)4/h16-17H,5-15H2,1-4H3
InChIKeySKMSIZXLQACIGA-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.30
Rot. Bonds5

About ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate

ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate (PubChem CID 142693827) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate
PubChem CID142693827
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Nameethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C20H36N2O4/c1-5-25-18(23)17-7-6-11-21(15-17)12-8-16-9-13-22(14-10-16)19(24)26-20(2,3)4/h16-17H,5-15H2,1-4H3
InChIKeySKMSIZXLQACIGA-UHFFFAOYSA-N
XLogP3.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
CID 113246394
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
CID 79316103
ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate
CID 103785584
ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate
CID 71096303
tert-butyl 4-[2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 20641747
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate
CID 81338983
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
tert-butyl 4-(4-ethoxycarbonylpiperidin-1-yl)azepane-1-carboxylate
CID 123273994
1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;ethyl (3R)-piperidine-3-carboxylate
CID 158843375

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate (CID 142693827) is ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate?
The InChIKey is SKMSIZXLQACIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-5-25-18(23)17-7-6-11-21(15-17)12-8-16-9-13-22(14-10-16)19(24)26-20(2,3)4/h16-17H,5-15H2,1-4H3.
What are the key properties of ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate?
ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate has a molecular weight of 368.52 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 142693827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).