tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

C21H37NO4 — CID 58602432

IUPACtert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)CCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H37NO4/c1-5-25-18(23)11-12-21(17-9-7-6-8-10-17)13-15-22(16-14-21)19(24)26-20(2,3)4/h17H,5-16H2,1-4H3
InChIKeyGNIYZCPPSWYEMZ-UHFFFAOYSA-N
MW367.53 g/mol
LogP4.93
Rot. Bonds5

About tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 58602432) has the molecular formula C21H37NO4 and a molecular weight of 367.53 g/mol. Its IUPAC name is tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
PubChem CID58602432
Molecular FormulaC21H37NO4
Molecular Weight367.53 g/mol
Exact Mass367.27
IUPAC Nametert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)CCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H37NO4/c1-5-25-18(23)11-12-21(17-9-7-6-8-10-17)13-15-22(16-14-21)19(24)26-20(2,3)4/h17H,5-16H2,1-4H3
InChIKeyGNIYZCPPSWYEMZ-UHFFFAOYSA-N
XLogP4.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 21018689
tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate
CID 126739379
tert-butyl 4-cyclohexyl-4-[(1-hydroxypropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 20743550
tert-butyl 4-(2-ethoxy-2-oxoethyl)-4-(oxiran-2-yl)piperidine-1-carboxylate
CID 165456985
tert-butyl 4-[(4-chlorobutanoylamino)methyl]-4-cyclohexylpiperidine-1-carboxylate
CID 21018694
tert-butyl (2S)-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 86313536
tert-butyl 4-[(1S,3R)-3-ethoxycarbonylcyclohexyl]-4-hydroxypiperidine-1-carboxylate
CID 129387396
tert-butyl 4-cyclohexyl-4-methoxypiperidine-1-carboxylate
CID 22492894
tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate
CID 140729074
tert-butyl 4-(3-ethoxy-3-oxopropyl)piperazine-1-carboxylate
CID 23000690
tert-butyl 9-(2-ethoxy-2-oxoethoxy)-3-azaspiro[5.5]undecane-3-carboxylate
CID 178069186
tert-butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 14105087

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate (CID 58602432) is tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate is CCOC(=O)CCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is GNIYZCPPSWYEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO4/c1-5-25-18(23)11-12-21(17-9-7-6-8-10-17)13-15-22(16-14-21)19(24)26-20(2,3)4/h17H,5-16H2,1-4H3.
What are the key properties of tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 367.53 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohexyl-4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 58602432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).