methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate

C17H31N3O4 — CID 166675225

IUPACmethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H31N3O4/c1-17(2,3)24-15(21)18-13-5-7-14(8-6-13)19-9-11-20(12-10-19)16(22)23-4/h13-14H,5-12H2,1-4H3,(H,18,21)
InChIKeyFDIKROAHODQZNF-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.21
Rot. Bonds2

About methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate

methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate (PubChem CID 166675225) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate
PubChem CID166675225
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Namemethyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H31N3O4/c1-17(2,3)24-15(21)18-13-5-7-14(8-6-13)19-9-11-20(12-10-19)16(22)23-4/h13-14H,5-12H2,1-4H3,(H,18,21)
InChIKeyFDIKROAHODQZNF-UHFFFAOYSA-N
XLogP2.21
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate
CID 178015378
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate
CID 139430473
tert-butyl N-[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamate
CID 159168644
methyl 4-cyclopentylpiperazine-1-carboxylate
CID 110708898
tert-butyl N-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]carbamate
CID 172628112
tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate
CID 91018778
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carboxylate
CID 108558897
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate (CID 166675225) is methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate is COC(=O)N1CCN(C2CCC(NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate?
The InChIKey is FDIKROAHODQZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-17(2,3)24-15(21)18-13-5-7-14(8-6-13)19-9-11-20(12-10-19)16(22)23-4/h13-14H,5-12H2,1-4H3,(H,18,21).
What are the key properties of methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate?
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate has a molecular weight of 341.45 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate is sourced from PubChem (CID 166675225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).