(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride

C18H31Cl2N5O3 — CID 66853448

IUPAC(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCCC1)OCN1C=C2C(=O)N(C3CCNCC3)CN2C1
InChIInChI=1S/C18H29N5O3.2ClH/c24-17-16-10-21(13-26-18(25)20-14-4-2-1-3-5-14)11-22(16)12-23(17)15-6-8-19-9-7-15;;/h10,14-15,19H,1-9,11-13H2,(H,20,25);2*1H
InChIKeyPZFKNEYNVREACP-UHFFFAOYSA-N
MW436.38 g/mol
LogP1.81
Rot. Bonds4

About (7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride

(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride (PubChem CID 66853448) has the molecular formula C18H31Cl2N5O3 and a molecular weight of 436.38 g/mol. Its IUPAC name is (7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride.

Molecular Properties

Compound Name(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride
PubChem CID66853448
Molecular FormulaC18H31Cl2N5O3
Molecular Weight436.38 g/mol
Exact Mass435.18
IUPAC Name(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCCC1)OCN1C=C2C(=O)N(C3CCNCC3)CN2C1
InChIInChI=1S/C18H29N5O3.2ClH/c24-17-16-10-21(13-26-18(25)20-14-4-2-1-3-5-14)11-22(16)12-23(17)15-6-8-19-9-7-15;;/h10,14-15,19H,1-9,11-13H2,(H,20,25);2*1H
InChIKeyPZFKNEYNVREACP-UHFFFAOYSA-N
XLogP1.81
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride?
The IUPAC name of (7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride (CID 66853448) is (7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride.
What is the SMILES notation for (7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride?
The canonical SMILES for (7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride is Cl.Cl.O=C(NC1CCCCC1)OCN1C=C2C(=O)N(C3CCNCC3)CN2C1.
What is the InChIKey of (7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride?
The InChIKey is PZFKNEYNVREACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3.2ClH/c24-17-16-10-21(13-26-18(25)20-14-4-2-1-3-5-14)11-22(16)12-23(17)15-6-8-19-9-7-15;;/h10,14-15,19H,1-9,11-13H2,(H,20,25);2*1H.
What are the key properties of (7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride?
(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride has a molecular weight of 436.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl N-cyclohexylcarbamate;dihydrochloride is sourced from PubChem (CID 66853448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).