tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid

C22H35N5O4 — CID 68646504

IUPACtert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](CC(C)C)N(C(=O)O)C(C)(C)C)CC1)C2
InChIInChI=1S/C22H35N5O4/c1-14(2)11-18(27(21(30)31)22(4,5)6)19(28)24-9-7-16(8-10-24)25-13-17-12-23-15(3)26(17)20(25)29/h12,14,16,18H,7-11,13H2,1-6H3,(H,30,31)/t18-/m1/s1
InChIKeyQEFRIQYPWRGYTQ-GOSISDBHSA-N
MW433.55 g/mol
LogP3.16
Rot. Bonds5

About tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid

tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid (PubChem CID 68646504) has the molecular formula C22H35N5O4 and a molecular weight of 433.55 g/mol. Its IUPAC name is tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid
PubChem CID68646504
Molecular FormulaC22H35N5O4
Molecular Weight433.55 g/mol
Exact Mass433.27
IUPAC Nametert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](CC(C)C)N(C(=O)O)C(C)(C)C)CC1)C2
InChIInChI=1S/C22H35N5O4/c1-14(2)11-18(27(21(30)31)22(4,5)6)19(28)24-9-7-16(8-10-24)25-13-17-12-23-15(3)26(17)20(25)29/h12,14,16,18H,7-11,13H2,1-6H3,(H,30,31)/t18-/m1/s1
InChIKeyQEFRIQYPWRGYTQ-GOSISDBHSA-N
XLogP3.16
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid (CID 68646504) is tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid is Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](CC(C)C)N(C(=O)O)C(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid?
The InChIKey is QEFRIQYPWRGYTQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H35N5O4/c1-14(2)11-18(27(21(30)31)22(4,5)6)19(28)24-9-7-16(8-10-24)25-13-17-12-23-15(3)26(17)20(25)29/h12,14,16,18H,7-11,13H2,1-6H3,(H,30,31)/t18-/m1/s1.
What are the key properties of tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid?
tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid has a molecular weight of 433.55 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 68646504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).