benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate

C58H76N12O9S — CID 157279730

IUPACbenzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(COC(=O)N2CCC(CNC(=O)c3cncn3C)CC2)cc1.Cn1cncc1C(=O)NCC1CCN(C(=O)OCc2ccccc2)CC1.Cn1cncc1C(=O)NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H26N4O3.C19H26N4O3S.C19H24N4O3/c1-15-3-5-17(6-4-15)13-27-20(26)24-9-7-16(8-10-24)11-22-19(25)18-12-21-14-23(18)2;1-22-15-20-14-18(22)19(24)21-13-17-7-10-23(11-8-17)27(25,26)12-9-16-5-3-2-4-6-16;1-22-14-20-12-17(22)18(24)21-11-15-7-9-23(10-8-15)19(25)26-13-16-5-3-2-4-6-16/h3-6,12,14,16H,7-11,13H2,1-2H3,(H,22,25);2-6,14-15,17H,7-13H2,1H3,(H,21,24);2-6,12,14-15H,7-11,13H2,1H3,(H,21,24)
InChIKeyAZNGFCFIANBOLG-UHFFFAOYSA-N
MW1117.39 g/mol
LogP6.14
Rot. Bonds17

About benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate

benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 157279730) has the molecular formula C58H76N12O9S and a molecular weight of 1117.39 g/mol. Its IUPAC name is benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
PubChem CID157279730
Molecular FormulaC58H76N12O9S
Molecular Weight1117.39 g/mol
Exact Mass1116.56
IUPAC Namebenzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(COC(=O)N2CCC(CNC(=O)c3cncn3C)CC2)cc1.Cn1cncc1C(=O)NCC1CCN(C(=O)OCc2ccccc2)CC1.Cn1cncc1C(=O)NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H26N4O3.C19H26N4O3S.C19H24N4O3/c1-15-3-5-17(6-4-15)13-27-20(26)24-9-7-16(8-10-24)11-22-19(25)18-12-21-14-23(18)2;1-22-15-20-14-18(22)19(24)21-13-17-7-10-23(11-8-17)27(25,26)12-9-16-5-3-2-4-6-16;1-22-14-20-12-17(22)18(24)21-11-15-7-9-23(10-8-15)19(25)26-13-16-5-3-2-4-6-16/h3-6,12,14,16H,7-11,13H2,1-2H3,(H,22,25);2-6,14-15,17H,7-13H2,1H3,(H,21,24);2-6,12,14-15H,7-11,13H2,1H3,(H,21,24)
InChIKeyAZNGFCFIANBOLG-UHFFFAOYSA-N
XLogP6.14
TPSA237.22 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001117.39
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 58933781
4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 91092314
(4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate
CID 58933569
(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate
CID 58933564
benzyl 4-[[(5-hydroxypyrimidine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933592
benzyl 4-[(pyridazine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933452
(4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933760
(4-fluorophenyl)methyl 4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10270687
benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10132923
benzyl 4-[[(3-bromopyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933764
(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933724
(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10178059

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate (CID 157279730) is benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate is Cc1ccc(COC(=O)N2CCC(CNC(=O)c3cncn3C)CC2)cc1.Cn1cncc1C(=O)NCC1CCN(C(=O)OCc2ccccc2)CC1.Cn1cncc1C(=O)NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is AZNGFCFIANBOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3.C19H26N4O3S.C19H24N4O3/c1-15-3-5-17(6-4-15)13-27-20(26)24-9-7-16(8-10-24)11-22-19(25)18-12-21-14-23(18)2;1-22-15-20-14-18(22)19(24)21-13-17-7-10-23(11-8-17)27(25,26)12-9-16-5-3-2-4-6-16;1-22-14-20-12-17(22)18(24)21-11-15-7-9-23(10-8-15)19(25)26-13-16-5-3-2-4-6-16/h3-6,12,14,16H,7-11,13H2,1-2H3,(H,22,25);2-6,14-15,17H,7-13H2,1H3,(H,21,24);2-6,12,14-15H,7-11,13H2,1H3,(H,21,24).
What are the key properties of benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate?
benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 1117.39 g/mol, XLogP of 6.14, 17 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 157279730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).