2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide

C21H24Cl2N2O — CID 3108201

IUPAC2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide
SMILESCc1cccc(C)c1NC(=O)C(c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C21H24Cl2N2O/c1-14-7-6-8-15(2)19(14)24-21(26)20(25-11-4-3-5-12-25)17-10-9-16(22)13-18(17)23/h6-10,13,20H,3-5,11-12H2,1-2H3,(H,24,26)
InChIKeyBYHAVONFGOLHBH-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.78
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide

2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide (PubChem CID 3108201) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide
PubChem CID3108201
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide
SMILESCc1cccc(C)c1NC(=O)C(c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C21H24Cl2N2O/c1-14-7-6-8-15(2)19(14)24-21(26)20(25-11-4-3-5-12-25)17-10-9-16(22)13-18(17)23/h6-10,13,20H,3-5,11-12H2,1-2H3,(H,24,26)
InChIKeyBYHAVONFGOLHBH-UHFFFAOYSA-N
XLogP5.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid
CID 93297834
2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-formamidoacetamide
CID 3521204
(2S)-2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 7279324
(2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 97217806
propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate
CID 97355454
(2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 1230131
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 3520877
2-(4-acetyl-1,4-diazepan-1-yl)-2-(2,4-dichlorophenyl)acetic acid
CID 72936573
2-(2,4-dichlorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-morpholin-4-ylacetamide
CID 139005024
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 6922800
(2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide
CID 97009143
(2S)-2-(2,4-dichlorophenyl)-N-[(1R,2R)-2-methylcyclohexyl]-2-morpholin-4-ylacetamide
CID 100899496

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide (CID 3108201) is 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide is Cc1cccc(C)c1NC(=O)C(c1ccc(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide?
The InChIKey is BYHAVONFGOLHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-14-7-6-8-15(2)19(14)24-21(26)20(25-11-4-3-5-12-25)17-10-9-16(22)13-18(17)23/h6-10,13,20H,3-5,11-12H2,1-2H3,(H,24,26).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide?
2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide has a molecular weight of 391.34 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 3108201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).