N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide

C25H30Cl2N2O2 — CID 66592694

IUPACN-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Cl)cc1C1(O)CCN(CC=Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H30Cl2N2O2/c1-24(2,3)23(30)28-22-11-10-20(27)17-21(22)25(31)12-15-29(16-13-25)14-4-5-18-6-8-19(26)9-7-18/h4-11,17,31H,12-16H2,1-3H3,(H,28,30)
InChIKeyMLTDJHXQXVLFJY-UHFFFAOYSA-N
MW461.43 g/mol
LogP5.97
Rot. Bonds5

About N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide

N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 66592694) has the molecular formula C25H30Cl2N2O2 and a molecular weight of 461.43 g/mol. Its IUPAC name is N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID66592694
Molecular FormulaC25H30Cl2N2O2
Molecular Weight461.43 g/mol
Exact Mass460.17
IUPAC NameN-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Cl)cc1C1(O)CCN(CC=Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H30Cl2N2O2/c1-24(2,3)23(30)28-22-11-10-20(27)17-21(22)25(31)12-15-29(16-13-25)14-4-5-18-6-8-19(26)9-7-18/h4-11,17,31H,12-16H2,1-3H3,(H,28,30)
InChIKeyMLTDJHXQXVLFJY-UHFFFAOYSA-N
XLogP5.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.43
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-chloro-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenyl]benzamide
CID 66854855
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CID 119043152
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 14911507
N-[5-chloro-2-[3-[4-[(4-chlorophenyl)methyl]-4-hydroxy-3,3-dimethylpiperidin-1-yl]propoxy]phenyl]-2,2-dimethylpropanamide
CID 46842347
2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 126798500
N-benzyl-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]acetamide
CID 126820137
4-(4-chlorophenoxy)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylic acid
CID 70738535
5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-1-(2-trimethylsilylethoxymethyl)spiro[indole-3,4'-piperidine]-2-one
CID 102258337
[5-chloro-1'-[3-(4-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-azepane]-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 76609022
[4-chloro-2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
CID 154729958
N-(4-chloro-2-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 55345435
(E)-N-[(E)-[5-chloro-1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[2H-indene-3,4'-piperidine]-1-ylidene]amino]but-2-en-1-amine;1-chloroethenamine;ethane
CID 143063656

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide (CID 66592694) is N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(Cl)cc1C1(O)CCN(CC=Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is MLTDJHXQXVLFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N2O2/c1-24(2,3)23(30)28-22-11-10-20(27)17-21(22)25(31)12-15-29(16-13-25)14-4-5-18-6-8-19(26)9-7-18/h4-11,17,31H,12-16H2,1-3H3,(H,28,30).
What are the key properties of N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide?
N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 461.43 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[1-[3-(4-chlorophenyl)prop-2-enyl]-4-hydroxypiperidin-4-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 66592694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).