benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate

C19H24N4O3 — CID 10132923

IUPACbenzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCc1[nH]cnc1C(=O)NCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H24N4O3/c1-14-17(22-13-21-14)18(24)20-11-15-7-9-23(10-8-15)19(25)26-12-16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3,(H,20,24)(H,21,22)
InChIKeyBCNVOLYSNLLENC-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.50
Rot. Bonds5

About benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate

benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 10132923) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
PubChem CID10132923
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namebenzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCc1[nH]cnc1C(=O)NCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H24N4O3/c1-14-17(22-13-21-14)18(24)20-11-15-7-9-23(10-8-15)19(25)26-12-16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3,(H,20,24)(H,21,22)
InChIKeyBCNVOLYSNLLENC-UHFFFAOYSA-N
XLogP2.50
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[[(5-hydroxypyrimidine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933592
benzyl 4-[(pyridazine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933452
benzyl 4-[[[2-(methylamino)pyrimidine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933693
benzyl 4-[[(6-chloropyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933687
benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933443
N-benzyl-5-methyl-1H-imidazole-4-carboxamide
CID 71320720
benzyl 4-(hydroxymethyl)piperidine-1-carboxylate;methanesulfonic acid
CID 86749923
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243
benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate
CID 170459943
2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 131923672
benzyl 4-[[(3-bromopyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933764
benzyl 4-[[(4-phenyl-1,3-thiazole-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933656

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate (CID 10132923) is benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate is Cc1[nH]cnc1C(=O)NCC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is BCNVOLYSNLLENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-17(22-13-21-14)18(24)20-11-15-7-9-23(10-8-15)19(25)26-12-16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate?
benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10132923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).