benzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate

C23H24N2O2 — CID 44552422

IUPACbenzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCn1cc(CC2=CN(C(=O)OCc3ccccc3)CCC2)c2ccccc21
InChIInChI=1S/C23H24N2O2/c1-24-16-20(21-11-5-6-12-22(21)24)14-19-10-7-13-25(15-19)23(26)27-17-18-8-3-2-4-9-18/h2-6,8-9,11-12,15-16H,7,10,13-14,17H2,1H3
InChIKeyXIFDJOGJOOKWKD-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.04
Rot. Bonds4

About benzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate

benzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 44552422) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is benzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID44552422
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Namebenzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCn1cc(CC2=CN(C(=O)OCc3ccccc3)CCC2)c2ccccc21
InChIInChI=1S/C23H24N2O2/c1-24-16-20(21-11-5-6-12-22(21)24)14-19-10-7-13-25(15-19)23(26)27-17-18-8-3-2-4-9-18/h2-6,8-9,11-12,15-16H,7,10,13-14,17H2,1H3
InChIKeyXIFDJOGJOOKWKD-UHFFFAOYSA-N
XLogP5.04
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 5-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 44552327
benzyl 5-bromo-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 11652495
2-methyl-2-(4-phenylmethoxycarbonyl-1,4-diazepan-1-yl)propanoic acid
CID 167730556
benzyl 3,4-dihydro-2H-pyridine-1-carboxylate
CID 15637681
ethane;3-(1-methylindol-3-yl)-2-[(4-phenylphenyl)methoxycarbonylamino]propanoic acid
CID 91531655
4-O-benzyl 1-O-tert-butyl 2,3-dihydropyrrole-1,4-dicarboxylate
CID 10566356
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
3-benzyl-1-methylquinolin-4-one
CID 10988673
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
1-phenylmethoxycarbonylindole-3-carboxylate
CID 86198178
benzyl 2H-azete-1-carboxylate
CID 140983848

Frequently Asked Questions

What is the IUPAC name of benzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate (CID 44552422) is benzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate is Cn1cc(CC2=CN(C(=O)OCc3ccccc3)CCC2)c2ccccc21.
What is the InChIKey of benzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is XIFDJOGJOOKWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-24-16-20(21-11-5-6-12-22(21)24)14-19-10-7-13-25(15-19)23(26)27-17-18-8-3-2-4-9-18/h2-6,8-9,11-12,15-16H,7,10,13-14,17H2,1H3.
What are the key properties of benzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
benzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 360.46 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-[(1-methylindol-3-yl)methyl]-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 44552422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).