tert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate

C21H33N3O4 — CID 137450909

IUPACtert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cccn(C2CCC(N3CCOCC3)CC2)c1=O
InChIInChI=1S/C21H33N3O4/c1-21(2,3)28-20(26)22(4)18-6-5-11-24(19(18)25)17-9-7-16(8-10-17)23-12-14-27-15-13-23/h5-6,11,16-17H,7-10,12-15H2,1-4H3
InChIKeyWSCBCXDYQQVLIU-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.04
Rot. Bonds3

About tert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate

tert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450909) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate
PubChem CID137450909
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Nametert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cccn(C2CCC(N3CCOCC3)CC2)c1=O
InChIInChI=1S/C21H33N3O4/c1-21(2,3)28-20(26)22(4)18-6-5-11-24(19(18)25)17-9-7-16(8-10-17)23-12-14-27-15-13-23/h5-6,11,16-17H,7-10,12-15H2,1-4H3
InChIKeyWSCBCXDYQQVLIU-UHFFFAOYSA-N
XLogP3.04
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate (CID 137450909) is tert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate is CN(C(=O)OC(C)(C)C)c1cccn(C2CCC(N3CCOCC3)CC2)c1=O.
What is the InChIKey of tert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate?
The InChIKey is WSCBCXDYQQVLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-21(2,3)28-20(26)22(4)18-6-5-11-24(19(18)25)17-9-7-16(8-10-17)23-12-14-27-15-13-23/h5-6,11,16-17H,7-10,12-15H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 391.51 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(4-morpholin-4-ylcyclohexyl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).