methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride

C19H32Cl2N4O3 — CID 67644381

IUPACmethyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride
SMILESCCc1nc(C(N)=O)c(C2CCC(C(=O)OC)CC2)n1C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H30N4O3.2ClH/c1-3-15-22-16(18(20)24)17(23(15)14-8-10-21-11-9-14)12-4-6-13(7-5-12)19(25)26-2;;/h12-14,21H,3-11H2,1-2H3,(H2,20,24);2*1H
InChIKeyIIMZBUUKFLISNX-UHFFFAOYSA-N
MW435.40 g/mol
LogP2.76
Rot. Bonds5

About methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride

methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride (PubChem CID 67644381) has the molecular formula C19H32Cl2N4O3 and a molecular weight of 435.40 g/mol. Its IUPAC name is methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride
PubChem CID67644381
Molecular FormulaC19H32Cl2N4O3
Molecular Weight435.40 g/mol
Exact Mass434.19
IUPAC Namemethyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride
SMILESCCc1nc(C(N)=O)c(C2CCC(C(=O)OC)CC2)n1C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H30N4O3.2ClH/c1-3-15-22-16(18(20)24)17(23(15)14-8-10-21-11-9-14)12-4-6-13(7-5-12)19(25)26-2;;/h12-14,21H,3-11H2,1-2H3,(H2,20,24);2*1H
InChIKeyIIMZBUUKFLISNX-UHFFFAOYSA-N
XLogP2.76
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride?
The IUPAC name of methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride (CID 67644381) is methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride?
The canonical SMILES for methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride is CCc1nc(C(N)=O)c(C2CCC(C(=O)OC)CC2)n1C1CCNCC1.Cl.Cl.
What is the InChIKey of methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride?
The InChIKey is IIMZBUUKFLISNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3.2ClH/c1-3-15-22-16(18(20)24)17(23(15)14-8-10-21-11-9-14)12-4-6-13(7-5-12)19(25)26-2;;/h12-14,21H,3-11H2,1-2H3,(H2,20,24);2*1H.
What are the key properties of methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride?
methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride has a molecular weight of 435.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride is sourced from PubChem (CID 67644381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).