2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C24H33N3O — CID 56509640

IUPAC2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC(CN(C)Cc2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-19-8-7-9-20(2)24(19)25-23(28)18-27-14-12-22(13-15-27)17-26(3)16-21-10-5-4-6-11-21/h4-11,22H,12-18H2,1-3H3,(H,25,28)
InChIKeyCXRCFUMDQUCDQK-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.09
Rot. Bonds7

About 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 56509640) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID56509640
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC(CN(C)Cc2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-19-8-7-9-20(2)24(19)25-23(28)18-27-14-12-22(13-15-27)17-26(3)16-21-10-5-4-6-11-21/h4-11,22H,12-18H2,1-3H3,(H,25,28)
InChIKeyCXRCFUMDQUCDQK-UHFFFAOYSA-N
XLogP4.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
CID 56510286
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)acetamide
CID 6458103
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide;hydrochloride
CID 119928048
N-(2,6-dimethylphenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 86914366
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-2-chloroethanone
CID 66567053
3-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzoic acid
CID 122028519
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8557874
N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 25468739
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 56509640) is 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1CCC(CN(C)Cc2ccccc2)CC1.
What is the InChIKey of 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is CXRCFUMDQUCDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-19-8-7-9-20(2)24(19)25-23(28)18-27-14-12-22(13-15-27)17-26(3)16-21-10-5-4-6-11-21/h4-11,22H,12-18H2,1-3H3,(H,25,28).
What are the key properties of 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 379.55 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 56509640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).