methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate

C17H21N3O3 — CID 628810

IUPACmethyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccc(OC)cc2)nc1N1CCCCC1
InChIInChI=1S/C17H21N3O3/c1-22-13-8-6-12(7-9-13)15-18-14(17(21)23-2)16(19-15)20-10-4-3-5-11-20/h6-9H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyYZGUTCIMSJVXBF-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.86
Rot. Bonds4

About methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate

methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate (PubChem CID 628810) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate
PubChem CID628810
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namemethyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccc(OC)cc2)nc1N1CCCCC1
InChIInChI=1S/C17H21N3O3/c1-22-13-8-6-12(7-9-13)15-18-14(17(21)23-2)16(19-15)20-10-4-3-5-11-20/h6-9H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyYZGUTCIMSJVXBF-UHFFFAOYSA-N
XLogP2.86
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate
CID 625236
methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate
CID 10690235
ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate
CID 44605359
methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate
CID 562627
5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
CID 139598398
methyl 3-phenyl-4-piperidin-1-yl-5-(trifluoromethyl)-1H-pyrrole-2-carboxylate
CID 138965100
ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate
CID 167159073
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125
methyl 4-(4-methoxyphenyl)-1-oxo-2H-isoquinoline-3-carboxylate
CID 134913436
N-cycloheptyl-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135117222

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate (CID 628810) is methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate is COC(=O)c1[nH]c(-c2ccc(OC)cc2)nc1N1CCCCC1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate?
The InChIKey is YZGUTCIMSJVXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-13-8-6-12(7-9-13)15-18-14(17(21)23-2)16(19-15)20-10-4-3-5-11-20/h6-9H,3-5,10-11H2,1-2H3,(H,18,19).
What are the key properties of methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate?
methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 628810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).