[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid

C16H23N5O4 — CID 23138303

IUPAC[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
SMILESCCC(NC(=O)O)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1
InChIInChI=1S/C16H23N5O4/c1-3-13(18-15(23)24)14(22)19-6-4-11(5-7-19)20-9-12-8-17-10(2)21(12)16(20)25/h8,11,13,18H,3-7,9H2,1-2H3,(H,23,24)
InChIKeyXKNKMPASNWSERZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.01
Rot. Bonds4

About [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid

[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid (PubChem CID 23138303) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
PubChem CID23138303
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
SMILESCCC(NC(=O)O)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1
InChIInChI=1S/C16H23N5O4/c1-3-13(18-15(23)24)14(22)19-6-4-11(5-7-19)20-9-12-8-17-10(2)21(12)16(20)25/h8,11,13,18H,3-7,9H2,1-2H3,(H,23,24)
InChIKeyXKNKMPASNWSERZ-UHFFFAOYSA-N
XLogP1.01
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid (CID 23138303) is [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid is CCC(NC(=O)O)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1.
What is the InChIKey of [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The InChIKey is XKNKMPASNWSERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-3-13(18-15(23)24)14(22)19-6-4-11(5-7-19)20-9-12-8-17-10(2)21(12)16(20)25/h8,11,13,18H,3-7,9H2,1-2H3,(H,23,24).
What are the key properties of [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid has a molecular weight of 349.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 23138303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).