1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone

C19H21NOS — CID 91292890

IUPAC1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1CC(=O)C1C=CN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21NOS/c1-15-9-12-22-19(15)13-18(21)17-7-10-20(11-8-17)14-16-5-3-2-4-6-16/h2-7,9-10,12,17H,8,11,13-14H2,1H3
InChIKeyCOYHKMCKOUJZRL-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.20
Rot. Bonds5

About 1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone

1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone (PubChem CID 91292890) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone
PubChem CID91292890
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1CC(=O)C1C=CN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21NOS/c1-15-9-12-22-19(15)13-18(21)17-7-10-20(11-8-17)14-16-5-3-2-4-6-16/h2-7,9-10,12,17H,8,11,13-14H2,1H3
InChIKeyCOYHKMCKOUJZRL-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-methyl-3,4-dihydro-2H-pyridine
CID 59011780
1-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 176882445
2-[4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]-N-phenylacetamide
CID 3418350
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 115276231
N-(1-benzylpiperidin-4-yl)-3-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 42703324
3-methyl-1-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102787300
2-[(3-methylthiophen-2-yl)methyl]prop-2-enoic acid
CID 116866302
(E)-1-(4-benzylpiperazin-1-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 9338613
2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
CID 74243764
N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 35269814
1-benzyl-3-methyl-2,3-dihydropyrrole
CID 152546116
N-methyl-2-(3-methylthiophen-2-yl)acetamide
CID 67628204

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone (CID 91292890) is 1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone is Cc1ccsc1CC(=O)C1C=CN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone?
The InChIKey is COYHKMCKOUJZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c1-15-9-12-22-19(15)13-18(21)17-7-10-20(11-8-17)14-16-5-3-2-4-6-16/h2-7,9-10,12,17H,8,11,13-14H2,1H3.
What are the key properties of 1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone?
1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone has a molecular weight of 311.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 91292890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).