tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate

C16H29N3O4 — CID 57445035

IUPACtert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCN2CCOCC2)C(=O)C1
InChIInChI=1S/C16H29N3O4/c1-16(2,3)23-15(21)19-8-7-18(14(20)13-19)6-4-5-17-9-11-22-12-10-17/h4-13H2,1-3H3
InChIKeyYPYLXCQPEFMHJH-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.79
Rot. Bonds4

About tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate

tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate (PubChem CID 57445035) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate
PubChem CID57445035
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Nametert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCN2CCOCC2)C(=O)C1
InChIInChI=1S/C16H29N3O4/c1-16(2,3)23-15(21)19-8-7-18(14(20)13-19)6-4-5-17-9-11-22-12-10-17/h4-13H2,1-3H3
InChIKeyYPYLXCQPEFMHJH-UHFFFAOYSA-N
XLogP0.79
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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 9a-(aminomethyl)-6-oxo-octahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate
CID 155820576
tert-Butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate
CID 22321826
Tert-butyl 2-methyl-4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 72126141
Tert-butyl 2-[8-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-13,14-dioxo-1,5,8,12-tetrazabicyclo[10.2.2]hexadecan-5-yl]acetate
CID 11799006
tert-Butyl 4-(2-methoxyethyl)-3-oxopiperazine-1-carboxylate
CID 18783901
tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate
CID 19753823
tert-butyl N-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)carbamate
CID 19753961
Tert-butyl 4-(4-methylmorpholin-2-ylmethyl)piperazine-1-carboxylate
CID 23079658
Tert-butyl 4-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-carboxylate
CID 23079682
Tert-butyl 4-(2-morpholino-2-oxoethyl)piperazine-1-carboxylate
CID 46743080
Tert-butyl 4-(2-morpholinoethyl)piperazine-1-carboxylate
CID 46743083
1-(4-Boc-piperazin-1-yl)-2-morpholinoethan-1-one
CID 47520353

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate (CID 57445035) is tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCCN2CCOCC2)C(=O)C1.
What is the InChIKey of tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate?
The InChIKey is YPYLXCQPEFMHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-16(2,3)23-15(21)19-8-7-18(14(20)13-19)6-4-5-17-9-11-22-12-10-17/h4-13H2,1-3H3.
What are the key properties of tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate?
tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 57445035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).