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

C18H29Cl2N5O3 — CID 23084218

IUPAC(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl N-cyclohexylcarbamate;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCCC1)OCc1ncc2n1C(=O)N(C1CCNCC1)C2
InChIInChI=1S/C18H27N5O3.2ClH/c24-17(21-13-4-2-1-3-5-13)26-12-16-20-10-15-11-22(18(25)23(15)16)14-6-8-19-9-7-14;;/h10,13-14,19H,1-9,11-12H2,(H,21,24);2*1H
InChIKeyXYVRYTCSOQECKC-UHFFFAOYSA-N
MW434.37 g/mol
LogP2.82
Rot. Bonds4

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

(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl N-cyclohexylcarbamate;dihydrochloride (PubChem CID 23084218) has the molecular formula C18H29Cl2N5O3 and a molecular weight of 434.37 g/mol. Its IUPAC name is (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl N-cyclohexylcarbamate;dihydrochloride.

Molecular Properties

Compound Name(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl N-cyclohexylcarbamate;dihydrochloride
PubChem CID23084218
Molecular FormulaC18H29Cl2N5O3
Molecular Weight434.37 g/mol
Exact Mass433.16
IUPAC Name(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl N-cyclohexylcarbamate;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCCC1)OCc1ncc2n1C(=O)N(C1CCNCC1)C2
InChIInChI=1S/C18H27N5O3.2ClH/c24-17(21-13-4-2-1-3-5-13)26-12-16-20-10-15-11-22(18(25)23(15)16)14-6-8-19-9-7-14;;/h10,13-14,19H,1-9,11-12H2,(H,21,24);2*1H
InChIKeyXYVRYTCSOQECKC-UHFFFAOYSA-N
XLogP2.82
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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 N-cyclohexylcarbamate;dihydrochloride?
The IUPAC name of (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl N-cyclohexylcarbamate;dihydrochloride (CID 23084218) is (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl N-cyclohexylcarbamate;dihydrochloride.
What is the SMILES notation for (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl N-cyclohexylcarbamate;dihydrochloride?
The canonical SMILES for (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl N-cyclohexylcarbamate;dihydrochloride is Cl.Cl.O=C(NC1CCCCC1)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 N-cyclohexylcarbamate;dihydrochloride?
The InChIKey is XYVRYTCSOQECKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3.2ClH/c24-17(21-13-4-2-1-3-5-13)26-12-16-20-10-15-11-22(18(25)23(15)16)14-6-8-19-9-7-14;;/h10,13-14,19H,1-9,11-12H2,(H,21,24);2*1H.
What are the key properties of (5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl N-cyclohexylcarbamate;dihydrochloride?
(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl N-cyclohexylcarbamate;dihydrochloride has a molecular weight of 434.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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 N-cyclohexylcarbamate;dihydrochloride is sourced from PubChem (CID 23084218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).