2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide

C22H28N2O3 — CID 2573036

IUPAC2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O3/c1-26-19-8-9-20(21(15-19)27-2)23-22(25)16-24-12-10-18(11-13-24)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3,(H,23,25)
InChIKeyNAYUMCCQWPYUBC-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.60
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide

2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 2573036) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID2573036
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O3/c1-26-19-8-9-20(21(15-19)27-2)23-22(25)16-24-12-10-18(11-13-24)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3,(H,23,25)
InChIKeyNAYUMCCQWPYUBC-UHFFFAOYSA-N
XLogP3.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2464605
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 16554623
3-(4-benzylpiperidin-1-yl)-N-(2,5-dimethoxyphenyl)-3-oxopropanamide
CID 108952160
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150
2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 52920763
N-(2,4-dimethoxyphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 24762127
N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide
CID 26320938

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide (CID 2573036) is 2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is NAYUMCCQWPYUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-19-8-9-20(21(15-19)27-2)23-22(25)16-24-12-10-18(11-13-24)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide?
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2573036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).