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

C19H31N5O4 — CID 68646946

IUPACtert-butyl N-[3-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)CCNC(=O)OC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C19H31N5O4/c1-19(2,3)28-18(27)20-8-5-16(25)22-9-6-14(7-10-22)24-13-23-12-21(4)11-15(23)17(24)26/h11,14H,5-10,12-13H2,1-4H3,(H,20,27)
InChIKeyQAGBKTGUEGAXFX-UHFFFAOYSA-N
MW393.49 g/mol
LogP0.74
Rot. Bonds4

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

tert-butyl N-[3-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate (PubChem CID 68646946) has the molecular formula C19H31N5O4 and a molecular weight of 393.49 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate
PubChem CID68646946
Molecular FormulaC19H31N5O4
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC Nametert-butyl N-[3-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)CCNC(=O)OC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C19H31N5O4/c1-19(2,3)28-18(27)20-8-5-16(25)22-9-6-14(7-10-22)24-13-23-12-21(4)11-15(23)17(24)26/h11,14H,5-10,12-13H2,1-4H3,(H,20,27)
InChIKeyQAGBKTGUEGAXFX-UHFFFAOYSA-N
XLogP0.74
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 50.74
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-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate (CID 68646946) is tert-butyl N-[3-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate is CN1C=C2C(=O)N(C3CCN(C(=O)CCNC(=O)OC(C)(C)C)CC3)CN2C1.
What is the InChIKey of tert-butyl N-[3-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate?
The InChIKey is QAGBKTGUEGAXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O4/c1-19(2,3)28-18(27)20-8-5-16(25)22-9-6-14(7-10-22)24-13-23-12-21(4)11-15(23)17(24)26/h11,14H,5-10,12-13H2,1-4H3,(H,20,27).
What are the key properties of tert-butyl N-[3-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate?
tert-butyl N-[3-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate has a molecular weight of 393.49 g/mol, XLogP of 0.74, 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-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 68646946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).