tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate

C23H35N5O6 — CID 66853086

IUPACtert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCCCC(=O)NCCC(=O)OCc1ncc2n1C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C23H35N5O6/c1-5-6-19(29)24-10-7-20(30)33-15-18-25-13-17-14-27(21(31)28(17)18)16-8-11-26(12-9-16)22(32)34-23(2,3)4/h13,16H,5-12,14-15H2,1-4H3,(H,24,29)
InChIKeyHVGKJHTYHHXPKC-UHFFFAOYSA-N
MW477.56 g/mol
LogP2.42
Rot. Bonds8

About tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate

tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (PubChem CID 66853086) has the molecular formula C23H35N5O6 and a molecular weight of 477.56 g/mol. Its IUPAC name is tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
PubChem CID66853086
Molecular FormulaC23H35N5O6
Molecular Weight477.56 g/mol
Exact Mass477.26
IUPAC Nametert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCCCC(=O)NCCC(=O)OCc1ncc2n1C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C23H35N5O6/c1-5-6-19(29)24-10-7-20(30)33-15-18-25-13-17-14-27(21(31)28(17)18)16-8-11-26(12-9-16)22(32)34-23(2,3)4/h13,16H,5-12,14-15H2,1-4H3,(H,24,29)
InChIKeyHVGKJHTYHHXPKC-UHFFFAOYSA-N
XLogP2.42
TPSA123.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

tert-butyl 4-[3-(3-acetamidopropanoyloxymethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 66853100
tert-butyl 4-[3-[3-[ethyl(propanoyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 66853334
tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 66853680
(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate
CID 66852847
tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 91005830
tert-butyl N-ethyl-N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 68646928
tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate
CID 127591993
tert-butyl 4-[4-(propylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 107253321
tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate
CID 155667424
tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
CID 23084136
3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one
CID 66854223
ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]-2-(propylamino)pyrimidine-5-carboxylate
CID 175562049

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (CID 66853086) is tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is CCCC(=O)NCCC(=O)OCc1ncc2n1C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The InChIKey is HVGKJHTYHHXPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O6/c1-5-6-19(29)24-10-7-20(30)33-15-18-25-13-17-14-27(21(31)28(17)18)16-8-11-26(12-9-16)22(32)34-23(2,3)4/h13,16H,5-12,14-15H2,1-4H3,(H,24,29).
What are the key properties of tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate has a molecular weight of 477.56 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 66853086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).