(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate

C19H27N5O4 — CID 66852829

IUPAC(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate
SMILESO=C(CCN1CCCCC1=O)OCc1ncc2n1C(=O)N(C1CCNCC1)C2
InChIInChI=1S/C19H27N5O4/c25-17-3-1-2-9-22(17)10-6-18(26)28-13-16-21-11-15-12-23(19(27)24(15)16)14-4-7-20-8-5-14/h11,14,20H,1-10,12-13H2
InChIKeyWIYCGIOISMLROF-UHFFFAOYSA-N
MW389.46 g/mol
LogP0.86
Rot. Bonds6

About (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate

(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate (PubChem CID 66852829) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate.

Molecular Properties

Compound Name(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate
PubChem CID66852829
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate
SMILESO=C(CCN1CCCCC1=O)OCc1ncc2n1C(=O)N(C1CCNCC1)C2
InChIInChI=1S/C19H27N5O4/c25-17-3-1-2-9-22(17)10-6-18(26)28-13-16-21-11-15-12-23(19(27)24(15)16)14-4-7-20-8-5-14/h11,14,20H,1-10,12-13H2
InChIKeyWIYCGIOISMLROF-UHFFFAOYSA-N
XLogP0.86
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 23084043
CID 23084043
CID 23084218
CID 23084218
CID 23138121
CID 23138121
CID 23138125
CID 23138125
CID 23138128
CID 23138128
CID 23138258
CID 23138258
CID 23138290
CID 23138290
CID 23138303
CID 23138303
CID 23138350
CID 23138350
CID 66852787
CID 66852787
CID 66852808
CID 66852808
CID 66852828
CID 66852828

Frequently Asked Questions

What is the IUPAC name of (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate?
The IUPAC name of (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate (CID 66852829) is (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate.
What is the SMILES notation for (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate?
The canonical SMILES for (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate is O=C(CCN1CCCCC1=O)OCc1ncc2n1C(=O)N(C1CCNCC1)C2.
What is the InChIKey of (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate?
The InChIKey is WIYCGIOISMLROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c25-17-3-1-2-9-22(17)10-6-18(26)28-13-16-21-11-15-12-23(19(27)24(15)16)14-4-7-20-8-5-14/h11,14,20H,1-10,12-13H2.
What are the key properties of (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate?
(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate has a molecular weight of 389.46 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate is sourced from PubChem (CID 66852829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).