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

C24H41N5O4 — CID 68646936

IUPAC[(2R)-3,3,5,5-tetramethyl-1-[4-[2-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
SMILESCN1C=C2C(=O)N(CCC3CCN(C(=O)[C@H](NC(=O)O)C(C)(C)CC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C24H41N5O4/c1-23(2,3)14-24(4,5)19(25-22(32)33)21(31)27-10-7-17(8-11-27)9-12-28-16-29-15-26(6)13-18(29)20(28)30/h13,17,19,25H,7-12,14-16H2,1-6H3,(H,32,33)/t19-/m0/s1
InChIKeyDBEGLGQMGFJTMH-IBGZPJMESA-N
MW463.62 g/mol
LogP2.56
Rot. Bonds7

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

[(2R)-3,3,5,5-tetramethyl-1-[4-[2-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid (PubChem CID 68646936) has the molecular formula C24H41N5O4 and a molecular weight of 463.62 g/mol. Its IUPAC name is [(2R)-3,3,5,5-tetramethyl-1-[4-[2-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-3,3,5,5-tetramethyl-1-[4-[2-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
PubChem CID68646936
Molecular FormulaC24H41N5O4
Molecular Weight463.62 g/mol
Exact Mass463.32
IUPAC Name[(2R)-3,3,5,5-tetramethyl-1-[4-[2-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
SMILESCN1C=C2C(=O)N(CCC3CCN(C(=O)[C@H](NC(=O)O)C(C)(C)CC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C24H41N5O4/c1-23(2,3)14-24(4,5)19(25-22(32)33)21(31)27-10-7-17(8-11-27)9-12-28-16-29-15-26(6)13-18(29)20(28)30/h13,17,19,25H,7-12,14-16H2,1-6H3,(H,32,33)/t19-/m0/s1
InChIKeyDBEGLGQMGFJTMH-IBGZPJMESA-N
XLogP2.56
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3,5,5-tetramethyl-1-[4-[2-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid?
The IUPAC name of [(2R)-3,3,5,5-tetramethyl-1-[4-[2-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid (CID 68646936) is [(2R)-3,3,5,5-tetramethyl-1-[4-[2-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-3,3,5,5-tetramethyl-1-[4-[2-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-3,3,5,5-tetramethyl-1-[4-[2-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid is CN1C=C2C(=O)N(CCC3CCN(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-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid?
The InChIKey is DBEGLGQMGFJTMH-IBGZPJMESA-N. The full InChI is InChI=1S/C24H41N5O4/c1-23(2,3)14-24(4,5)19(25-22(32)33)21(31)27-10-7-17(8-11-27)9-12-28-16-29-15-26(6)13-18(29)20(28)30/h13,17,19,25H,7-12,14-16H2,1-6H3,(H,32,33)/t19-/m0/s1.
What are the key properties of [(2R)-3,3,5,5-tetramethyl-1-[4-[2-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid?
[(2R)-3,3,5,5-tetramethyl-1-[4-[2-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid has a molecular weight of 463.62 g/mol, XLogP of 2.56, 7 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-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)ethyl]piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid is sourced from PubChem (CID 68646936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).