1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone

C22H28N2O — CID 108996770

IUPAC1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
SMILESCc1cccc(CNCC(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O/c1-18-6-5-9-21(14-18)16-23-17-22(25)24-12-10-20(11-13-24)15-19-7-3-2-4-8-19/h2-9,14,20,23H,10-13,15-17H2,1H3
InChIKeyOFRXENAZRZWYHW-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.57
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone

1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone (PubChem CID 108996770) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
PubChem CID108996770
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
SMILESCc1cccc(CNCC(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O/c1-18-6-5-9-21(14-18)16-23-17-22(25)24-12-10-20(11-13-24)15-19-7-3-2-4-8-19/h2-9,14,20,23H,10-13,15-17H2,1H3
InChIKeyOFRXENAZRZWYHW-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
2-[(3-methylphenyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60903513
1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
CID 108997532
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone
CID 108996744
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482
(2S,3S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099788
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46043518
1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108979983

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone (CID 108996770) is 1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone is Cc1cccc(CNCC(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone?
The InChIKey is OFRXENAZRZWYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-18-6-5-9-21(14-18)16-23-17-22(25)24-12-10-20(11-13-24)15-19-7-3-2-4-8-19/h2-9,14,20,23H,10-13,15-17H2,1H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone has a molecular weight of 336.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone is sourced from PubChem (CID 108996770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).