benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate

C18H22N4O3 — CID 122152865

IUPACbenzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCn1ccnc1NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H22N4O3/c1-21-12-9-19-17(21)20-16(23)15-7-10-22(11-8-15)18(24)25-13-14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,19,20,23)
InChIKeyAWNXGGNYYNEVQU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.41
Rot. Bonds4

About benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate

benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 122152865) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID122152865
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namebenzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCn1ccnc1NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H22N4O3/c1-21-12-9-19-17(21)20-16(23)15-7-10-22(11-8-15)18(24)25-13-14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,19,20,23)
InChIKeyAWNXGGNYYNEVQU-UHFFFAOYSA-N
XLogP2.41
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-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

Related Compounds

benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770
benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 69072738
benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
CID 171405341
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate
CID 94177956
benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
CID 3416715
benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 102563792
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 42880782
benzyl 4-[[(2S)-2-amino-3-phenylpropanoyl]oxycarbamoyl]piperidine-1-carboxylate
CID 54293771
benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate
CID 60592903

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate (CID 122152865) is benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate is Cn1ccnc1NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is AWNXGGNYYNEVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21-12-9-19-17(21)20-16(23)15-7-10-22(11-8-15)18(24)25-13-14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,19,20,23).
What are the key properties of benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate?
benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 122152865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).