tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate

C18H32N2O3 — CID 178015378

IUPACtert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate
SMILESCOC=C1CCN(C2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H32N2O3/c1-18(2,3)23-17(21)19-15-5-7-16(8-6-15)20-11-9-14(10-12-20)13-22-4/h13,15-16H,5-12H2,1-4H3,(H,19,21)
InChIKeyDEYNDMQWGWRWSV-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.45
Rot. Bonds3

About tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate

tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate (PubChem CID 178015378) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate
PubChem CID178015378
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Nametert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate
SMILESCOC=C1CCN(C2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H32N2O3/c1-18(2,3)23-17(21)19-15-5-7-16(8-6-15)20-11-9-14(10-12-20)13-22-4/h13,15-16H,5-12H2,1-4H3,(H,19,21)
InChIKeyDEYNDMQWGWRWSV-UHFFFAOYSA-N
XLogP3.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate
CID 166675225
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
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
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
tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate
CID 67160005
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethylcarbamic acid
CID 90951819
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate (CID 178015378) is tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate is COC=C1CCN(C2CCC(NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate?
The InChIKey is DEYNDMQWGWRWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-18(2,3)23-17(21)19-15-5-7-16(8-6-15)20-11-9-14(10-12-20)13-22-4/h13,15-16H,5-12H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate?
tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate has a molecular weight of 324.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate is sourced from PubChem (CID 178015378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).