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

C19H29Cl2N5O4 — CID 66852828

IUPAC(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCCCC1=O)OCc1ncc2n1C(=O)N(C1CCNCC1)C2
InChIInChI=1S/C19H27N5O4.2ClH/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;2*1H
InChIKeyNLOXHWGQBBAGPZ-UHFFFAOYSA-N
MW462.38 g/mol
LogP1.71
Rot. Bonds6

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

(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate;dihydrochloride (PubChem CID 66852828) has the molecular formula C19H29Cl2N5O4 and a molecular weight of 462.38 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;dihydrochloride.

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;dihydrochloride
PubChem CID66852828
Molecular FormulaC19H29Cl2N5O4
Molecular Weight462.38 g/mol
Exact Mass461.16
IUPAC Name(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCCCC1=O)OCc1ncc2n1C(=O)N(C1CCNCC1)C2
InChIInChI=1S/C19H27N5O4.2ClH/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;2*1H
InChIKeyNLOXHWGQBBAGPZ-UHFFFAOYSA-N
XLogP1.71
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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;dihydrochloride?
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;dihydrochloride (CID 66852828) is (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate;dihydrochloride.
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;dihydrochloride?
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;dihydrochloride is Cl.Cl.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;dihydrochloride?
The InChIKey is NLOXHWGQBBAGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4.2ClH/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;2*1H.
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;dihydrochloride?
(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 3-(2-oxopiperidin-1-yl)propanoate;dihydrochloride has a molecular weight of 462.38 g/mol, XLogP of 1.71, 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;dihydrochloride is sourced from PubChem (CID 66852828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).