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

C18H27N5O4 — CID 23138228

IUPAC[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
SMILESCCCCC(NC(=O)O)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1
InChIInChI=1S/C18H27N5O4/c1-3-4-5-15(20-17(25)26)16(24)21-8-6-13(7-9-21)22-11-14-10-19-12(2)23(14)18(22)27/h10,13,15,20H,3-9,11H2,1-2H3,(H,25,26)
InChIKeyJMAVZPRMCLAEHP-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.79
Rot. Bonds6

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

[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid (PubChem CID 23138228) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxohexan-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-oxohexan-2-yl]carbamic acid
PubChem CID23138228
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
SMILESCCCCC(NC(=O)O)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1
InChIInChI=1S/C18H27N5O4/c1-3-4-5-15(20-17(25)26)16(24)21-8-6-13(7-9-21)22-11-14-10-19-12(2)23(14)18(22)27/h10,13,15,20H,3-9,11H2,1-2H3,(H,25,26)
InChIKeyJMAVZPRMCLAEHP-UHFFFAOYSA-N
XLogP1.79
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.79
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-oxohexan-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-oxohexan-2-yl]carbamic acid (CID 23138228) is [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxohexan-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-oxohexan-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-oxohexan-2-yl]carbamic acid is CCCCC(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-oxohexan-2-yl]carbamic acid?
The InChIKey is JMAVZPRMCLAEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-3-4-5-15(20-17(25)26)16(24)21-8-6-13(7-9-21)22-11-14-10-19-12(2)23(14)18(22)27/h10,13,15,20H,3-9,11H2,1-2H3,(H,25,26).
What are the key properties of [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid?
[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid has a molecular weight of 377.45 g/mol, XLogP of 1.79, 6 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-oxohexan-2-yl]carbamic acid is sourced from PubChem (CID 23138228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).