tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate

C16H29N3O4 — CID 58735548

IUPACtert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCOCC1
InChIInChI=1S/C16H29N3O4/c1-13-11-19(15(21)23-16(2,3)4)6-5-18(13)12-14(20)17-7-9-22-10-8-17/h13H,5-12H2,1-4H3
InChIKeyHREHFSBYBMJKNC-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.79
Rot. Bonds2

About tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate

tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate (PubChem CID 58735548) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate
PubChem CID58735548
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Nametert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCOCC1
InChIInChI=1S/C16H29N3O4/c1-13-11-19(15(21)23-16(2,3)4)6-5-18(13)12-14(20)17-7-9-22-10-8-17/h13H,5-12H2,1-4H3
InChIKeyHREHFSBYBMJKNC-UHFFFAOYSA-N
XLogP0.79
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-2-carboxylate
CID 80712298
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CID 58007390
tert-butyl (3S)-3-methyl-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 177302136
tert-butyl (3S)-3-methyl-4-(oxetan-3-yl)piperazine-1-carboxylate
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tert-butyl (3R)-3-methyl-4-(oxetan-3-yl)piperazine-1-carboxylate
CID 138550018
tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate
CID 58007307
tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate
CID 110460531
tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(morpholine-4-carbonyl)piperazine-1-carboxylic acid
CID 90964695
tert-butyl 3-methyl-4-(1,3-thiazol-5-ylmethyl)piperazine-1-carboxylate
CID 71635021
tert-butyl (3R)-3-methyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxylate
CID 97177200
tert-butyl 3-methyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxylate
CID 71635020

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate (CID 58735548) is tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N1CCOCC1.
What is the InChIKey of tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate?
The InChIKey is HREHFSBYBMJKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-13-11-19(15(21)23-16(2,3)4)6-5-18(13)12-14(20)17-7-9-22-10-8-17/h13H,5-12H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate?
tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate is sourced from PubChem (CID 58735548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).