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

C23H39N5O4 — CID 68646922

IUPAC[(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
SMILESCN1C=C2C(=O)N(CC3CCN(C(=O)[C@H](NC(=O)O)C(C)(C)CC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C23H39N5O4/c1-22(2,3)13-23(4,5)18(24-21(31)32)20(30)26-9-7-16(8-10-26)11-27-15-28-14-25(6)12-17(28)19(27)29/h12,16,18,24H,7-11,13-15H2,1-6H3,(H,31,32)/t18-/m0/s1
InChIKeyGXSYSZLQVUPDRH-SFHVURJKSA-N
MW449.60 g/mol
LogP2.17
Rot. Bonds6

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

[(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid (PubChem CID 68646922) has the molecular formula C23H39N5O4 and a molecular weight of 449.60 g/mol. Its IUPAC name is [(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
PubChem CID68646922
Molecular FormulaC23H39N5O4
Molecular Weight449.60 g/mol
Exact Mass449.30
IUPAC Name[(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
SMILESCN1C=C2C(=O)N(CC3CCN(C(=O)[C@H](NC(=O)O)C(C)(C)CC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C23H39N5O4/c1-22(2,3)13-23(4,5)18(24-21(31)32)20(30)26-9-7-16(8-10-26)11-27-15-28-14-25(6)12-17(28)19(27)29/h12,16,18,24H,7-11,13-15H2,1-6H3,(H,31,32)/t18-/m0/s1
InChIKeyGXSYSZLQVUPDRH-SFHVURJKSA-N
XLogP2.17
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid?
The IUPAC name of [(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid (CID 68646922) is [(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid is CN1C=C2C(=O)N(CC3CCN(C(=O)[C@H](NC(=O)O)C(C)(C)CC(C)(C)C)CC3)CN2C1.
What is the InChIKey of [(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid?
The InChIKey is GXSYSZLQVUPDRH-SFHVURJKSA-N. The full InChI is InChI=1S/C23H39N5O4/c1-22(2,3)13-23(4,5)18(24-21(31)32)20(30)26-9-7-16(8-10-26)11-27-15-28-14-25(6)12-17(28)19(27)29/h12,16,18,24H,7-11,13-15H2,1-6H3,(H,31,32)/t18-/m0/s1.
What are the key properties of [(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid?
[(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid has a molecular weight of 449.60 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,3,5,5-tetramethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid is sourced from PubChem (CID 68646922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).