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

C19H29N5O4 — CID 23138380

IUPACtert-butyl N-methyl-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)CN(C)C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C19H29N5O4/c1-13-20-10-15-11-23(17(26)24(13)15)14-6-8-22(9-7-14)16(25)12-21(5)18(27)28-19(2,3)4/h10,14H,6-9,11-12H2,1-5H3
InChIKeyLLVMWOAMKFPJCT-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.83
Rot. Bonds3

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

tert-butyl N-methyl-N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 23138380) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is tert-butyl N-methyl-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-methyl-N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID23138380
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Nametert-butyl N-methyl-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)CN(C)C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C19H29N5O4/c1-13-20-10-15-11-23(17(26)24(13)15)14-6-8-22(9-7-14)16(25)12-21(5)18(27)28-19(2,3)4/h10,14H,6-9,11-12H2,1-5H3
InChIKeyLLVMWOAMKFPJCT-UHFFFAOYSA-N
XLogP1.83
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-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-methyl-N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate (CID 23138380) is tert-butyl N-methyl-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-methyl-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-methyl-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)CN(C)C(=O)OC(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl N-methyl-N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is LLVMWOAMKFPJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-13-20-10-15-11-23(17(26)24(13)15)14-6-8-22(9-7-14)16(25)12-21(5)18(27)28-19(2,3)4/h10,14H,6-9,11-12H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-methyl-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 391.47 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-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 23138380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).