N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide

C21H24Cl2N2O2 — CID 10223070

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)C2CCNCC2)cc1
InChIInChI=1S/C21H24Cl2N2O2/c1-27-19-6-2-15(3-7-19)12-21(26)25(18-8-10-24-11-9-18)14-16-4-5-17(22)13-20(16)23/h2-7,13,18,24H,8-12,14H2,1H3
InChIKeyLWGMJNNEFKEYRH-UHFFFAOYSA-N
MW407.34 g/mol
LogP4.33
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide

N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide (PubChem CID 10223070) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide
PubChem CID10223070
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)C2CCNCC2)cc1
InChIInChI=1S/C21H24Cl2N2O2/c1-27-19-6-2-15(3-7-19)12-21(26)25(18-8-10-24-11-9-18)14-16-4-5-17(22)13-20(16)23/h2-7,13,18,24H,8-12,14H2,1H3
InChIKeyLWGMJNNEFKEYRH-UHFFFAOYSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11602353
2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide
CID 60806745
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 23512961
N-(2-amino-2-oxoethyl)-2-(4-chlorophenyl)-N-piperidin-4-ylacetamide
CID 60801057
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanamide
CID 133253732
(2S)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 100582051
N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 63391425
N-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]butanamide
CID 132721138
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-piperidin-4-ylacetamide
CID 10097003
N,2-bis(4-chlorophenyl)-N-piperidin-4-ylacetamide
CID 23338995

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide (CID 10223070) is N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide is COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)C2CCNCC2)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide?
The InChIKey is LWGMJNNEFKEYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-27-19-6-2-15(3-7-19)12-21(26)25(18-8-10-24-11-9-18)14-16-4-5-17(22)13-20(16)23/h2-7,13,18,24H,8-12,14H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide?
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide has a molecular weight of 407.34 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide is sourced from PubChem (CID 10223070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).