tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate

C15H23N5O3 — CID 91084618

IUPACtert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2=NC(=O)C3N=CNC3C2)CC1
InChIInChI=1S/C15H23N5O3/c1-15(2,3)23-14(22)20-6-4-19(5-7-20)11-8-10-12(13(21)18-11)17-9-16-10/h9-10,12H,4-8H2,1-3H3,(H,16,17)
InChIKeyWVUODHUIZYCSGU-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.24
Rot. Bonds

About tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate

tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate (PubChem CID 91084618) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate
PubChem CID91084618
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Nametert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2=NC(=O)C3N=CNC3C2)CC1
InChIInChI=1S/C15H23N5O3/c1-15(2,3)23-14(22)20-6-4-19(5-7-20)11-8-10-12(13(21)18-11)17-9-16-10/h9-10,12H,4-8H2,1-3H3,(H,16,17)
InChIKeyWVUODHUIZYCSGU-UHFFFAOYSA-N
XLogP0.24
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 2-(aminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 57908096
Tert-butyl 4-(2-methyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
CID 59279763
Tert-butyl 4-(4-oxo-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
CID 59373387
Tert-butyl 4-(2-ethyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carboxylate
CID 59373410
tert-Butyl 2-methyl-4-oxo-1,3,7-triazaspiro[4.5]dec-1-ene-7-carboxylate
CID 59373656
tert-butyl 3-(5-iodo-4-oxo-4a,5-dihydro-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 137476187
tert-butyl 6-[(2-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398100
tert-butyl 6-[(6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398156
tert-butyl 6-[(5-oxopyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398190
tert-butyl 6-[(1-methyl-6-oxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398204
tert-butyl 6-[(2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398237
tert-butyl 6-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398238

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate (CID 91084618) is tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C2=NC(=O)C3N=CNC3C2)CC1.
What is the InChIKey of tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate?
The InChIKey is WVUODHUIZYCSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-15(2,3)23-14(22)20-6-4-19(5-7-20)11-8-10-12(13(21)18-11)17-9-16-10/h9-10,12H,4-8H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate?
tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-oxo-1,3a,7,7a-tetrahydroimidazo[4,5-c]pyridin-6-yl)piperazine-1-carboxylate is sourced from PubChem (CID 91084618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).