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

C22H35N5O4 — CID 91005830

IUPACtert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C22H35N5O4/c1-14(2)11-18(24-20(29)31-22(4,5)6)19(28)25-9-7-16(8-10-25)26-13-17-12-23-15(3)27(17)21(26)30/h12,14,16,18H,7-11,13H2,1-6H3,(H,24,29)/t18-/m1/s1
InChIKeyKBDKPLPQNAACGL-GOSISDBHSA-N
MW433.55 g/mol
LogP2.91
Rot. Bonds5

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

tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate (PubChem CID 91005830) has the molecular formula C22H35N5O4 and a molecular weight of 433.55 g/mol. Its IUPAC name is tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
PubChem CID91005830
Molecular FormulaC22H35N5O4
Molecular Weight433.55 g/mol
Exact Mass433.27
IUPAC Nametert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C22H35N5O4/c1-14(2)11-18(24-20(29)31-22(4,5)6)19(28)25-9-7-16(8-10-25)26-13-17-12-23-15(3)27(17)21(26)30/h12,14,16,18H,7-11,13H2,1-6H3,(H,24,29)/t18-/m1/s1
InChIKeyKBDKPLPQNAACGL-GOSISDBHSA-N
XLogP2.91
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-ethyl-N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 68646928
tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxobutan-2-yl]carbamate
CID 90728140
4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(1-phenylethyl)piperidin-1-amine oxide
CID 87529036
1-[4-(iodomethyl)phenyl]-3-[3-methoxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]urea
CID 89363858
tert-butyl N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 10709372
tert-butyl N-[4-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamate
CID 57169179
phenyl N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 123894347
1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-methylsulfinyl-1-oxobutan-2-yl]urea
CID 58858026
1-(4-iodophenyl)-3-[4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea
CID 70841208
6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 66854284
1-[(2R)-3-(4-cyanophenyl)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]-3-[4-(iodomethyl)phenyl]urea
CID 89363932
tert-butyl-[(2R)-3-(4-cyanophenyl)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 68646954

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate (CID 91005830) is tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate is Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate?
The InChIKey is KBDKPLPQNAACGL-GOSISDBHSA-N. The full InChI is InChI=1S/C22H35N5O4/c1-14(2)11-18(24-20(29)31-22(4,5)6)19(28)25-9-7-16(8-10-25)26-13-17-12-23-15(3)27(17)21(26)30/h12,14,16,18H,7-11,13H2,1-6H3,(H,24,29)/t18-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate has a molecular weight of 433.55 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 91005830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).