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

C19H31N5O4 — CID 68646794

IUPAC[(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
SMILESCN1C=C2C(=O)N(CC3CCN(C(=O)[C@H](NC(=O)O)C(C)(C)C)CC3)CN2C1
InChIInChI=1S/C19H31N5O4/c1-19(2,3)15(20-18(27)28)17(26)22-7-5-13(6-8-22)9-23-12-24-11-21(4)10-14(24)16(23)25/h10,13,15,20H,5-9,11-12H2,1-4H3,(H,27,28)/t15-/m0/s1
InChIKeyIULMNYWKFFIMQO-HNNXBMFYSA-N
MW393.49 g/mol
LogP0.75
Rot. Bonds4

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

[(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid (PubChem CID 68646794) has the molecular formula C19H31N5O4 and a molecular weight of 393.49 g/mol. Its IUPAC name is [(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
PubChem CID68646794
Molecular FormulaC19H31N5O4
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC Name[(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
SMILESCN1C=C2C(=O)N(CC3CCN(C(=O)[C@H](NC(=O)O)C(C)(C)C)CC3)CN2C1
InChIInChI=1S/C19H31N5O4/c1-19(2,3)15(20-18(27)28)17(26)22-7-5-13(6-8-22)9-23-12-24-11-21(4)10-14(24)16(23)25/h10,13,15,20H,5-9,11-12H2,1-4H3,(H,27,28)/t15-/m0/s1
InChIKeyIULMNYWKFFIMQO-HNNXBMFYSA-N
XLogP0.75
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid
CID 68646505
tert-butyl N-[3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 68646704
[(2R)-3,5,5-trimethyl-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 68646732
[(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid
CID 68646884
[(2S)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-methylsulfanyl-1-oxohexan-2-yl]carbamic acid
CID 68646914
[(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
tert-butyl N-[3-ethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 68646927
[(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
[(2S)-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-methylsulfanyl-1-oxobutan-2-yl]carbamic acid
CID 68646958
[(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
[(2R)-7,7-dimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxooctan-2-yl]carbamic acid
CID 68647011
[(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

Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid (CID 68646794) is [(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid is CN1C=C2C(=O)N(CC3CCN(C(=O)[C@H](NC(=O)O)C(C)(C)C)CC3)CN2C1.
What is the InChIKey of [(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The InChIKey is IULMNYWKFFIMQO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N5O4/c1-19(2,3)15(20-18(27)28)17(26)22-7-5-13(6-8-22)9-23-12-24-11-21(4)10-14(24)16(23)25/h10,13,15,20H,5-9,11-12H2,1-4H3,(H,27,28)/t15-/m0/s1.
What are the key properties of [(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
[(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid has a molecular weight of 393.49 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,3-dimethyl-1-[4-[(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 68646794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).