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

C22H37N5O4 — CID 68646992

IUPAC[(2R)-3,3,5,5-tetramethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)[C@H](NC(=O)O)C(C)(C)CC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C22H37N5O4/c1-21(2,3)12-22(4,5)17(23-20(30)31)19(29)25-9-7-15(8-10-25)27-14-26-13-24(6)11-16(26)18(27)28/h11,15,17,23H,7-10,12-14H2,1-6H3,(H,30,31)/t17-/m0/s1
InChIKeyFRFOPWZQTULFSO-KRWDZBQOSA-N
MW435.57 g/mol
LogP1.92
Rot. Bonds5

About [(2R)-3,3,5,5-tetramethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid (PubChem CID 68646992) has the molecular formula C22H37N5O4 and a molecular weight of 435.57 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)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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
PubChem CID68646992
Molecular FormulaC22H37N5O4
Molecular Weight435.57 g/mol
Exact Mass435.28
IUPAC Name[(2R)-3,3,5,5-tetramethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)[C@H](NC(=O)O)C(C)(C)CC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C22H37N5O4/c1-21(2,3)12-22(4,5)17(23-20(30)31)19(29)25-9-7-15(8-10-25)27-14-26-13-24(6)11-16(26)18(27)28/h11,15,17,23H,7-10,12-14H2,1-6H3,(H,30,31)/t17-/m0/s1
InChIKeyFRFOPWZQTULFSO-KRWDZBQOSA-N
XLogP1.92
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 51.92
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-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid (CID 68646992) is [(2R)-3,3,5,5-tetramethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)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)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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid is CN1C=C2C(=O)N(C3CCN(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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid?
The InChIKey is FRFOPWZQTULFSO-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H37N5O4/c1-21(2,3)12-22(4,5)17(23-20(30)31)19(29)25-9-7-15(8-10-25)27-14-26-13-24(6)11-16(26)18(27)28/h11,15,17,23H,7-10,12-14H2,1-6H3,(H,30,31)/t17-/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)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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid has a molecular weight of 435.57 g/mol, XLogP of 1.92, 5 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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid is sourced from PubChem (CID 68646992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).