tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate

C20H31N3O4 — CID 126674600

IUPACtert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2ccnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H31N3O4/c1-20(2,3)27-19(24)22-15-4-6-16(7-5-15)26-17-8-9-21-18(14-17)23-10-12-25-13-11-23/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,22,24)
InChIKeyNSCCNSWACFXHEZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.13
Rot. Bonds4

About tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate

tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate (PubChem CID 126674600) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate
PubChem CID126674600
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Nametert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Oc2ccnc(N3CCOCC3)c2)CC1
InChIInChI=1S/C20H31N3O4/c1-20(2,3)27-19(24)22-15-4-6-16(7-5-15)26-17-8-9-21-18(14-17)23-10-12-25-13-11-23/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,22,24)
InChIKeyNSCCNSWACFXHEZ-UHFFFAOYSA-N
XLogP3.13
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 126674586
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778
tert-butyl N-cyclohexylcarbamate;2-morpholin-4-yl-1H-pyrimidin-6-one
CID 145268915
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
CID 2762943
tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 18667607
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597
tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate
CID 164574099
tert-butyl N-[4-[(3-chloro-7-morpholin-4-ylisoquinolin-1-yl)amino]cyclohexyl]carbamate
CID 178036730
tert-butyl N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]carbamate
CID 86656708
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
tert-butyl N-(5-morpholin-4-yl-3,4-dihydro-2H-pyran-3-yl)carbamate
CID 145406239

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate (CID 126674600) is tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Oc2ccnc(N3CCOCC3)c2)CC1.
What is the InChIKey of tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate?
The InChIKey is NSCCNSWACFXHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-20(2,3)27-19(24)22-15-4-6-16(7-5-15)26-17-8-9-21-18(14-17)23-10-12-25-13-11-23/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate?
tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate has a molecular weight of 377.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate is sourced from PubChem (CID 126674600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).