methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate

C19H30N4O3 — CID 18969489

IUPACmethyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cn(CCC3CCNCC3)cn2)CC1
InChIInChI=1S/C19H30N4O3/c1-26-19(25)15-2-4-16(5-3-15)22-18(24)17-12-23(13-21-17)11-8-14-6-9-20-10-7-14/h12-16,20H,2-11H2,1H3,(H,22,24)
InChIKeyRLWKYNSLPVTBAF-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.73
Rot. Bonds6

About methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate

methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 18969489) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID18969489
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Namemethyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cn(CCC3CCNCC3)cn2)CC1
InChIInChI=1S/C19H30N4O3/c1-26-19(25)15-2-4-16(5-3-15)22-18(24)17-12-23(13-21-17)11-8-14-6-9-20-10-7-14/h12-16,20H,2-11H2,1H3,(H,22,24)
InChIKeyRLWKYNSLPVTBAF-UHFFFAOYSA-N
XLogP1.73
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate 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 methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate (CID 18969489) is methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2cn(CCC3CCNCC3)cn2)CC1.
What is the InChIKey of methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is RLWKYNSLPVTBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-26-19(25)15-2-4-16(5-3-15)22-18(24)17-12-23(13-21-17)11-8-14-6-9-20-10-7-14/h12-16,20H,2-11H2,1H3,(H,22,24).
What are the key properties of methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate?
methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 18969489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).