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

C19H31N5O4 — CID 68647018

IUPAC[(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)[C@](C)(NC(=O)O)C(C)(C)C)CC3)CN2C1
InChIInChI=1S/C19H31N5O4/c1-18(2,3)19(4,20-17(27)28)16(26)22-8-6-13(7-9-22)24-12-23-11-21(5)10-14(23)15(24)25/h10,13,20H,6-9,11-12H2,1-5H3,(H,27,28)/t19-/m0/s1
InChIKeyUSBOPCYRZGXBDE-IBGZPJMESA-N
MW393.49 g/mol
LogP0.90
Rot. Bonds3

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

[(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid (PubChem CID 68647018) has the molecular formula C19H31N5O4 and a molecular weight of 393.49 g/mol. Its IUPAC name is [(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
PubChem CID68647018
Molecular FormulaC19H31N5O4
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC Name[(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)[C@](C)(NC(=O)O)C(C)(C)C)CC3)CN2C1
InChIInChI=1S/C19H31N5O4/c1-18(2,3)19(4,20-17(27)28)16(26)22-8-6-13(7-9-22)24-12-23-11-21(5)10-14(23)15(24)25/h10,13,20H,6-9,11-12H2,1-5H3,(H,27,28)/t19-/m0/s1
InChIKeyUSBOPCYRZGXBDE-IBGZPJMESA-N
XLogP0.90
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid (CID 68647018) is [(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid is CN1C=C2C(=O)N(C3CCN(C(=O)[C@](C)(NC(=O)O)C(C)(C)C)CC3)CN2C1.
What is the InChIKey of [(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The InChIKey is USBOPCYRZGXBDE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H31N5O4/c1-18(2,3)19(4,20-17(27)28)16(26)22-8-6-13(7-9-22)24-12-23-11-21(5)10-14(23)15(24)25/h10,13,20H,6-9,11-12H2,1-5H3,(H,27,28)/t19-/m0/s1.
What are the key properties of [(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
[(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid has a molecular weight of 393.49 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3,3-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 68647018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).