tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate

C24H34N4O6 — CID 167630787

IUPACtert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCC(=O)COc2cccc(N3CCC(=O)NC3=O)c2)CC1
InChIInChI=1S/C24H34N4O6/c1-24(2,3)34-23(32)27-14-12-26(13-15-27)10-5-7-19(29)17-33-20-8-4-6-18(16-20)28-11-9-21(30)25-22(28)31/h4,6,8,16H,5,7,9-15,17H2,1-3H3,(H,25,30,31)
InChIKeyNTPZMWOUUWFSMJ-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.41
Rot. Bonds8

About tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate

tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate (PubChem CID 167630787) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate
PubChem CID167630787
Molecular FormulaC24H34N4O6
Molecular Weight474.56 g/mol
Exact Mass474.25
IUPAC Nametert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCCC(=O)COc2cccc(N3CCC(=O)NC3=O)c2)CC1
InChIInChI=1S/C24H34N4O6/c1-24(2,3)34-23(32)27-14-12-26(13-15-27)10-5-7-19(29)17-33-20-8-4-6-18(16-20)28-11-9-21(30)25-22(28)31/h4,6,8,16H,5,7,9-15,17H2,1-3H3,(H,25,30,31)
InChIKeyNTPZMWOUUWFSMJ-UHFFFAOYSA-N
XLogP2.41
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate with MolForge

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Related Compounds

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CID 91759017
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CID 171774159
tert-butyl 4-[4-(3-nitrophenoxy)butyl]piperazine-1-carboxylate
CID 141284762
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CID 58795972
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CID 164540928
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CID 170749549
1-[3-[2-oxo-2-[4-[4-[4-(2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]butyl]piperazin-1-yl]ethoxy]phenyl]-1,3-diazinane-2,4-dione
CID 167478437
tert-butyl 4-[4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]prop-2-ynoxy]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 177052037
tert-butyl 4-[3-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazine-1-carboxylate
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tert-butyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110673124

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate (CID 167630787) is tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCCC(=O)COc2cccc(N3CCC(=O)NC3=O)c2)CC1.
What is the InChIKey of tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate?
The InChIKey is NTPZMWOUUWFSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O6/c1-24(2,3)34-23(32)27-14-12-26(13-15-27)10-5-7-19(29)17-33-20-8-4-6-18(16-20)28-11-9-21(30)25-22(28)31/h4,6,8,16H,5,7,9-15,17H2,1-3H3,(H,25,30,31).
What are the key properties of tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate?
tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate has a molecular weight of 474.56 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-4-oxopentyl]piperazine-1-carboxylate is sourced from PubChem (CID 167630787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).