benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde

C35H41N5O4 — CID 54402326

IUPACbenzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)CC1.COc1cccc(-c2nc(C3CCN(C(=O)OCc4ccccc4)CC3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C28H28N4O3.C7H13NO/c1-34-24-9-5-8-23(18-24)26-25(21-10-14-29-15-11-21)30-27(31-26)22-12-16-32(17-13-22)28(33)35-19-20-6-3-2-4-7-20;1-8-4-2-7(6-9)3-5-8/h2-11,14-15,18,22H,12-13,16-17,19H2,1H3,(H,30,31);6-7H,2-5H2,1H3
InChIKeyVOHNHFMVJIPELK-UHFFFAOYSA-N
MW595.74 g/mol
LogP6.19
Rot. Bonds7

About benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde

benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde (PubChem CID 54402326) has the molecular formula C35H41N5O4 and a molecular weight of 595.74 g/mol. Its IUPAC name is benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Namebenzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde
PubChem CID54402326
Molecular FormulaC35H41N5O4
Molecular Weight595.74 g/mol
Exact Mass595.32
IUPAC Namebenzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)CC1.COc1cccc(-c2nc(C3CCN(C(=O)OCc4ccccc4)CC3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C28H28N4O3.C7H13NO/c1-34-24-9-5-8-23(18-24)26-25(21-10-14-29-15-11-21)30-27(31-26)22-12-16-32(17-13-22)28(33)35-19-20-6-3-2-4-7-20;1-8-4-2-7(6-9)3-5-8/h2-11,14-15,18,22H,12-13,16-17,19H2,1H3,(H,30,31);6-7H,2-5H2,1H3
InChIKeyVOHNHFMVJIPELK-UHFFFAOYSA-N
XLogP6.19
TPSA100.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.74
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde 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

4-(4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl)pyridine
CID 10639924
N-[3-(3-methoxyphenyl)-6-[4-(4-methylpiperazino)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide
CID 49778889
US9656959, Example 34
CID 57404888
1H-benzimidazol-2-yl-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone
CID 58547066
1-Cyclopentanecarbonyl-4-{[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-A]pyridin-3-YL]methyl}piperazine
CID 51066877
1-(4-{[2-(3-Methoxyphenyl)-6-phenylimidazo[1,2-A]pyridin-3-YL]methyl}piperazin-1-YL)-2-methylpropan-1-one
CID 45970410
Cyclobutyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 45970424
Cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 45970442
1-(4-{[2-(3-Methoxyphenyl)-6-phenylimidazo[1,2-A]pyridin-3-YL]methyl}piperazin-1-YL)-3,3-dimethylbutan-1-one
CID 45970446
1-(4-{[2-(3-Methoxyphenyl)-6-phenylimidazo[1,2-A]pyridin-3-YL]methyl}piperazin-1-YL)-3-methylbutan-1-one
CID 51066873
4-[4-[5-(3-ethoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 90114599
4-[4-[5-(3-methoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413894

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde?
The IUPAC name of benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde (CID 54402326) is benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde.
What is the SMILES notation for benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde?
The canonical SMILES for benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde is CN1CCC(C=O)CC1.COc1cccc(-c2nc(C3CCN(C(=O)OCc4ccccc4)CC3)[nH]c2-c2ccncc2)c1.
What is the InChIKey of benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde?
The InChIKey is VOHNHFMVJIPELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3.C7H13NO/c1-34-24-9-5-8-23(18-24)26-25(21-10-14-29-15-11-21)30-27(31-26)22-12-16-32(17-13-22)28(33)35-19-20-6-3-2-4-7-20;1-8-4-2-7(6-9)3-5-8/h2-11,14-15,18,22H,12-13,16-17,19H2,1H3,(H,30,31);6-7H,2-5H2,1H3.
What are the key properties of benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde?
benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde has a molecular weight of 595.74 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylate;1-methylpiperidine-4-carbaldehyde is sourced from PubChem (CID 54402326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).