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

C18H27N5O4 — CID 23138308

IUPACtert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C18H27N5O4/c1-12-19-9-14-11-22(17(26)23(12)14)13-5-7-21(8-6-13)15(24)10-20-16(25)27-18(2,3)4/h9,13H,5-8,10-11H2,1-4H3,(H,20,25)
InChIKeyBTCXTAUTXLTSTE-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.49
Rot. Bonds3

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

tert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 23138308) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID23138308
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Nametert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C18H27N5O4/c1-12-19-9-14-11-22(17(26)23(12)14)13-5-7-21(8-6-13)15(24)10-20-16(25)27-18(2,3)4/h9,13H,5-8,10-11H2,1-4H3,(H,20,25)
InChIKeyBTCXTAUTXLTSTE-UHFFFAOYSA-N
XLogP1.49
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate (CID 23138308) is tert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate is Cc1ncc2n1C(=O)N(C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is BTCXTAUTXLTSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-12-19-9-14-11-22(17(26)23(12)14)13-5-7-21(8-6-13)15(24)10-20-16(25)27-18(2,3)4/h9,13H,5-8,10-11H2,1-4H3,(H,20,25).
What are the key properties of tert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 377.45 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 23138308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).