N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide

C23H30N2O — CID 108998987

IUPACN-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-2-25(18-22-11-7-4-8-12-22)23(26)19-24-15-13-21(14-16-24)17-20-9-5-3-6-10-20/h3-12,21H,2,13-19H2,1H3
InChIKeyYXBKATQLRYFTRI-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.99
Rot. Bonds7

About N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide

N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide (PubChem CID 108998987) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
PubChem CID108998987
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-2-25(18-22-11-7-4-8-12-22)23(26)19-24-15-13-21(14-16-24)17-20-9-5-3-6-10-20/h3-12,21H,2,13-19H2,1H3
InChIKeyYXBKATQLRYFTRI-UHFFFAOYSA-N
XLogP3.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922495
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid
CID 66566899
2-(4-benzylpiperidin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001508
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
CID 108998972

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide (CID 108998987) is N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide?
The InChIKey is YXBKATQLRYFTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-25(18-22-11-7-4-8-12-22)23(26)19-24-15-13-21(14-16-24)17-20-9-5-3-6-10-20/h3-12,21H,2,13-19H2,1H3.
What are the key properties of N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide?
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide has a molecular weight of 350.51 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 108998987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).