2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide

C20H23Cl2N2O+ — CID 7430136

IUPAC2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H22Cl2N2O/c21-17-7-4-8-18(20(17)22)23-19(25)14-24-11-9-16(10-12-24)13-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H,23,25)/p+1
InChIKeyZJRFUZOOHJNRSO-UHFFFAOYSA-O
MW378.32 g/mol
LogP3.47
Rot. Bonds5

About 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide

2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide (PubChem CID 7430136) has the molecular formula C20H23Cl2N2O+ and a molecular weight of 378.32 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide
PubChem CID7430136
Molecular FormulaC20H23Cl2N2O+
Molecular Weight378.32 g/mol
Exact Mass377.12
IUPAC Name2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H22Cl2N2O/c21-17-7-4-8-18(20(17)22)23-19(25)14-24-11-9-16(10-12-24)13-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H,23,25)/p+1
InChIKeyZJRFUZOOHJNRSO-UHFFFAOYSA-O
XLogP3.47
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide
CID 6968884
2-(4-benzylpiperidin-1-ium-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8904524
2-(4-benzylpiperidin-1-ium-1-yl)acetamide
CID 40636152
(Z)-3-(4-benzylpiperidin-1-yl)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825057
2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8904596
N-(1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)acetamide
CID 2697635
N-(2,3-dichlorophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 7104210
3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide
CID 8539003
N-(2-chlorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9434222
3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 8538959
2-(cyclopropylmethylamino)-N-(2,3-dichlorophenyl)acetamide
CID 60843168
2-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-N-(2-chlorophenyl)acetamide
CID 11940542

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide (CID 7430136) is 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide is O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is ZJRFUZOOHJNRSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22Cl2N2O/c21-17-7-4-8-18(20(17)22)23-19(25)14-24-11-9-16(10-12-24)13-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H,23,25)/p+1.
What are the key properties of 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide?
2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 378.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 7430136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).