tert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate

C22H33N5O4 — CID 23138189

IUPACtert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)C3(NC(=O)OC(C)(C)C)CCCC3)CC1)C2
InChIInChI=1S/C22H33N5O4/c1-15-23-13-17-14-26(20(30)27(15)17)16-7-11-25(12-8-16)18(28)22(9-5-6-10-22)24-19(29)31-21(2,3)4/h13,16H,5-12,14H2,1-4H3,(H,24,29)
InChIKeyFJZADKTWYYXFJJ-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.80
Rot. Bonds3

About tert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate

tert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate (PubChem CID 23138189) has the molecular formula C22H33N5O4 and a molecular weight of 431.54 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate
PubChem CID23138189
Molecular FormulaC22H33N5O4
Molecular Weight431.54 g/mol
Exact Mass431.25
IUPAC Nametert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)C3(NC(=O)OC(C)(C)C)CCCC3)CC1)C2
InChIInChI=1S/C22H33N5O4/c1-15-23-13-17-14-26(20(30)27(15)17)16-7-11-25(12-8-16)18(28)22(9-5-6-10-22)24-19(29)31-21(2,3)4/h13,16H,5-12,14H2,1-4H3,(H,24,29)
InChIKeyFJZADKTWYYXFJJ-UHFFFAOYSA-N
XLogP2.80
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate (CID 23138189) is tert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate is Cc1ncc2n1C(=O)N(C1CCN(C(=O)C3(NC(=O)OC(C)(C)C)CCCC3)CC1)C2.
What is the InChIKey of tert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate?
The InChIKey is FJZADKTWYYXFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O4/c1-15-23-13-17-14-26(20(30)27(15)17)16-7-11-25(12-8-16)18(28)22(9-5-6-10-22)24-19(29)31-21(2,3)4/h13,16H,5-12,14H2,1-4H3,(H,24,29).
What are the key properties of tert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate?
tert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate has a molecular weight of 431.54 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]cyclopentyl]carbamate is sourced from PubChem (CID 23138189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).