methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride

C19H32Cl2N4O3 — CID 67643198

IUPACmethyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride
SMILESCOC(=O)CCC1CCC(c2cn(C3CCNCC3)c(C(N)=O)n2)CC1.Cl.Cl
InChIInChI=1S/C19H30N4O3.2ClH/c1-26-17(24)7-4-13-2-5-14(6-3-13)16-12-23(19(22-16)18(20)25)15-8-10-21-11-9-15;;/h12-15,21H,2-11H2,1H3,(H2,20,25);2*1H
InChIKeyPMAVQJDEQRVRHS-UHFFFAOYSA-N
MW435.40 g/mol
LogP2.98
Rot. Bonds6

About methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride

methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride (PubChem CID 67643198) has the molecular formula C19H32Cl2N4O3 and a molecular weight of 435.40 g/mol. Its IUPAC name is methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride
PubChem CID67643198
Molecular FormulaC19H32Cl2N4O3
Molecular Weight435.40 g/mol
Exact Mass434.19
IUPAC Namemethyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride
SMILESCOC(=O)CCC1CCC(c2cn(C3CCNCC3)c(C(N)=O)n2)CC1.Cl.Cl
InChIInChI=1S/C19H30N4O3.2ClH/c1-26-17(24)7-4-13-2-5-14(6-3-13)16-12-23(19(22-16)18(20)25)15-8-10-21-11-9-15;;/h12-15,21H,2-11H2,1H3,(H2,20,25);2*1H
InChIKeyPMAVQJDEQRVRHS-UHFFFAOYSA-N
XLogP2.98
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-[4-[(4-piperidin-4-ylphenyl)methoxy]cyclohexyl]propanoate;hydrochloride
CID 67844901
methyl 3-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]propanoate
CID 18969401
methyl 3-[4-[(1-piperidin-4-ylpiperidine-4-carbonyl)amino]cyclohexyl]propanoate;dihydrochloride
CID 67844736
methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate
CID 18969415
methyl 3-[4-[(4-methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoate
CID 15391219
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
propanoyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 174378538
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
methyl 3-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)-(pyridin-3-ylmethyl)amino]cyclohexyl]propanoate
CID 18969424
methyl 4-(5-carbamoyl-2-ethyl-3-piperidin-4-ylimidazol-4-yl)cyclohexane-1-carboxylate;dihydrochloride
CID 67644381

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride?
The IUPAC name of methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride (CID 67643198) is methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride.
What is the SMILES notation for methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride?
The canonical SMILES for methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride is COC(=O)CCC1CCC(c2cn(C3CCNCC3)c(C(N)=O)n2)CC1.Cl.Cl.
What is the InChIKey of methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride?
The InChIKey is PMAVQJDEQRVRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3.2ClH/c1-26-17(24)7-4-13-2-5-14(6-3-13)16-12-23(19(22-16)18(20)25)15-8-10-21-11-9-15;;/h12-15,21H,2-11H2,1H3,(H2,20,25);2*1H.
What are the key properties of methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride?
methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride has a molecular weight of 435.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-carbamoyl-1-piperidin-4-ylimidazol-4-yl)cyclohexyl]propanoate;dihydrochloride is sourced from PubChem (CID 67643198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).