tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate

C21H34N4O4 — CID 118555257

IUPACtert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1c1cc(OCCN2CCOCC2)ccn1
InChIInChI=1S/C21H34N4O4/c1-17-16-24(20(26)29-21(2,3)4)7-8-25(17)19-15-18(5-6-22-19)28-14-11-23-9-12-27-13-10-23/h5-6,15,17H,7-14,16H2,1-4H3
InChIKeyUOGPKNYENCKVEQ-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.24
Rot. Bonds5

About tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate

tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 118555257) has the molecular formula C21H34N4O4 and a molecular weight of 406.53 g/mol. Its IUPAC name is tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate
PubChem CID118555257
Molecular FormulaC21H34N4O4
Molecular Weight406.53 g/mol
Exact Mass406.26
IUPAC Nametert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1c1cc(OCCN2CCOCC2)ccn1
InChIInChI=1S/C21H34N4O4/c1-17-16-24(20(26)29-21(2,3)4)7-8-25(17)19-15-18(5-6-22-19)28-14-11-23-9-12-27-13-10-23/h5-6,15,17H,7-14,16H2,1-4H3
InChIKeyUOGPKNYENCKVEQ-UHFFFAOYSA-N
XLogP2.24
TPSA67.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl (3S)-4-(4-ethoxy-2-pyridinyl)-3-methylpiperazine-1-carboxylate
CID 118555274
tert-butyl (3S)-3-[4-(2-morpholin-4-ylethoxy)phenoxy]pyrrolidine-1-carboxylate
CID 165147867
tert-butyl (3R)-3-methyl-4-[6-(oxan-4-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 126850150
tert-butyl (3R)-3-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazine-1-carboxylate
CID 86640183
tert-butyl (3S)-4-[6-(furan-3-yl)pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 126849727
tert-butyl (3S)-4-(6-cyclobutylpyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
CID 126849511
tert-butyl (3S)-3-methyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 95247753
tert-butyl (3R)-3-methyl-4-(6-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126849469
tert-butyl (3R)-4-(6-cyclopropylpyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
CID 126849486
tert-butyl (3R)-4-[5-(difluoromethyl)-1,2-oxazol-3-yl]-3-methylpiperazine-1-carboxylate
CID 52951138
(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(4-methyl-2-pyridinyl)piperazine-2-carboxylic acid
CID 97176220
tert-butyl (3S)-4-(2-amino-6-chloropyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
CID 141408813

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate (CID 118555257) is tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CCN1c1cc(OCCN2CCOCC2)ccn1.
What is the InChIKey of tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is UOGPKNYENCKVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4/c1-17-16-24(20(26)29-21(2,3)4)7-8-25(17)19-15-18(5-6-22-19)28-14-11-23-9-12-27-13-10-23/h5-6,15,17H,7-14,16H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 406.53 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 118555257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).