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

C19H29N5O4 — CID 23138350

IUPACtert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C19H29N5O4/c1-13-21-11-15-12-23(18(27)24(13)15)14-6-9-22(10-7-14)16(25)5-8-20-17(26)28-19(2,3)4/h11,14H,5-10,12H2,1-4H3,(H,20,26)
InChIKeySJVCFISZKXGLNM-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.88
Rot. Bonds4

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

tert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate (PubChem CID 23138350) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate
PubChem CID23138350
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Nametert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C19H29N5O4/c1-13-21-11-15-12-23(18(27)24(13)15)14-6-9-22(10-7-14)16(25)5-8-20-17(26)28-19(2,3)4/h11,14H,5-10,12H2,1-4H3,(H,20,26)
InChIKeySJVCFISZKXGLNM-UHFFFAOYSA-N
XLogP1.88
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate (CID 23138350) is tert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate is Cc1ncc2n1C(=O)N(C1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate?
The InChIKey is SJVCFISZKXGLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-13-21-11-15-12-23(18(27)24(13)15)14-6-9-22(10-7-14)16(25)5-8-20-17(26)28-19(2,3)4/h11,14H,5-10,12H2,1-4H3,(H,20,26).
What are the key properties of tert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate?
tert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate has a molecular weight of 391.47 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 23138350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).