methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate

C16H19N3O2 — CID 625236

IUPACmethyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccccc2)nc1N1CCCCC1
InChIInChI=1S/C16H19N3O2/c1-21-16(20)13-15(19-10-6-3-7-11-19)18-14(17-13)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,17,18)
InChIKeyOPSRAPJZGVCPOS-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.85
Rot. Bonds3

About methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate

methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate (PubChem CID 625236) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate
PubChem CID625236
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccccc2)nc1N1CCCCC1
InChIInChI=1S/C16H19N3O2/c1-21-16(20)13-15(19-10-6-3-7-11-19)18-14(17-13)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,17,18)
InChIKeyOPSRAPJZGVCPOS-UHFFFAOYSA-N
XLogP2.85
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate
CID 628810
ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate
CID 44605359
methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate
CID 10690235
methyl 3-phenyl-4-piperidin-1-yl-5-(trifluoromethyl)-1H-pyrrole-2-carboxylate
CID 138965100
methyl 3-amino-5-(azepan-1-yl)-6-phenylpyrazine-2-carboxylate
CID 58870289
methyl 5-chloro-2-phenyl-1H-imidazole-4-carboxylate
CID 69111578
methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703614
methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703620
methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate
CID 15998604
methyl 6-chloro-2-piperidin-1-ylpyridine-3-carboxylate
CID 167159073
methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate
CID 562627
methyl 6-chloro-2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 167311278

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate (CID 625236) is methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate is COC(=O)c1[nH]c(-c2ccccc2)nc1N1CCCCC1.
What is the InChIKey of methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate?
The InChIKey is OPSRAPJZGVCPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-16(20)13-15(19-10-6-3-7-11-19)18-14(17-13)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,17,18).
What are the key properties of methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate?
methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 625236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).