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

C18H27N5O4 — CID 23138180

IUPAC[4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)C(CC(C)C)NC(=O)O)CC1)C2
InChIInChI=1S/C18H27N5O4/c1-11(2)8-15(20-17(25)26)16(24)21-6-4-13(5-7-21)22-10-14-9-19-12(3)23(14)18(22)27/h9,11,13,15,20H,4-8,10H2,1-3H3,(H,25,26)
InChIKeyOIAGUTHFHLOOQV-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.65
Rot. Bonds5

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

[4-methyl-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 23138180) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is [4-methyl-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[4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid
PubChem CID23138180
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name[4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)C(CC(C)C)NC(=O)O)CC1)C2
InChIInChI=1S/C18H27N5O4/c1-11(2)8-15(20-17(25)26)16(24)21-6-4-13(5-7-21)22-10-14-9-19-12(3)23(14)18(22)27/h9,11,13,15,20H,4-8,10H2,1-3H3,(H,25,26)
InChIKeyOIAGUTHFHLOOQV-UHFFFAOYSA-N
XLogP1.65
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-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 [4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid (CID 23138180) is [4-methyl-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 [4-methyl-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 [4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid is Cc1ncc2n1C(=O)N(C1CCN(C(=O)C(CC(C)C)NC(=O)O)CC1)C2.
What is the InChIKey of [4-methyl-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 OIAGUTHFHLOOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-11(2)8-15(20-17(25)26)16(24)21-6-4-13(5-7-21)22-10-14-9-19-12(3)23(14)18(22)27/h9,11,13,15,20H,4-8,10H2,1-3H3,(H,25,26).
What are the key properties of [4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid?
[4-methyl-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 377.45 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-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 23138180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).