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

C17H25N5O4 — CID 23138128

IUPAC[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid
SMILESCCCC(NC(=O)O)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1
InChIInChI=1S/C17H25N5O4/c1-3-4-14(19-16(24)25)15(23)20-7-5-12(6-8-20)21-10-13-9-18-11(2)22(13)17(21)26/h9,12,14,19H,3-8,10H2,1-2H3,(H,24,25)
InChIKeyRGDAKYQRJDPKFC-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.40
Rot. Bonds5

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

[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid (PubChem CID 23138128) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-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-oxopentan-2-yl]carbamic acid
PubChem CID23138128
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid
SMILESCCCC(NC(=O)O)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1
InChIInChI=1S/C17H25N5O4/c1-3-4-14(19-16(24)25)15(23)20-7-5-12(6-8-20)21-10-13-9-18-11(2)22(13)17(21)26/h9,12,14,19H,3-8,10H2,1-2H3,(H,24,25)
InChIKeyRGDAKYQRJDPKFC-UHFFFAOYSA-N
XLogP1.40
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.40
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-oxopentan-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-oxopentan-2-yl]carbamic acid (CID 23138128) is [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-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-oxopentan-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-oxopentan-2-yl]carbamic acid is CCCC(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-oxopentan-2-yl]carbamic acid?
The InChIKey is RGDAKYQRJDPKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-3-4-14(19-16(24)25)15(23)20-7-5-12(6-8-20)21-10-13-9-18-11(2)22(13)17(21)26/h9,12,14,19H,3-8,10H2,1-2H3,(H,24,25).
What are the key properties of [1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid?
[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid has a molecular weight of 363.42 g/mol, XLogP of 1.40, 5 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-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 23138128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).