2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide

C21H25ClN2O2 — CID 16554623

IUPAC2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C21H25ClN2O2/c1-26-20-8-7-18(14-19(20)22)23-21(25)15-24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3,(H,23,25)
InChIKeyUFKHRCGPROBICQ-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.24
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide

2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 16554623) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID16554623
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C21H25ClN2O2/c1-26-20-8-7-18(14-19(20)22)23-21(25)15-24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3,(H,23,25)
InChIKeyUFKHRCGPROBICQ-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 15923223
N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371221
N-(3-chloro-4-methoxyphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923559
N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963334
2-(4-benzylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2464605
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 2655574
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2264838
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2545808

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide (CID 16554623) is 2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1Cl.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is UFKHRCGPROBICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-26-20-8-7-18(14-19(20)22)23-21(25)15-24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3,(H,23,25).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 372.90 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 16554623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).