N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide

C22H25Cl2N3O2 — CID 75446836

IUPACN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N1CCN(Cc2ccc(NC(=O)C(C)c3c(Cl)cccc3Cl)cc2)CC1
InChIInChI=1S/C22H25Cl2N3O2/c1-15(21-19(23)4-3-5-20(21)24)22(29)25-18-8-6-17(7-9-18)14-26-10-12-27(13-11-26)16(2)28/h3-9,15H,10-14H2,1-2H3,(H,25,29)
InChIKeyYGVHUMJIIPMPEH-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.40
Rot. Bonds5

About N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide

N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide (PubChem CID 75446836) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide
PubChem CID75446836
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC NameN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N1CCN(Cc2ccc(NC(=O)C(C)c3c(Cl)cccc3Cl)cc2)CC1
InChIInChI=1S/C22H25Cl2N3O2/c1-15(21-19(23)4-3-5-20(21)24)22(29)25-18-8-6-17(7-9-18)14-26-10-12-27(13-11-26)16(2)28/h3-9,15H,10-14H2,1-2H3,(H,25,29)
InChIKeyYGVHUMJIIPMPEH-UHFFFAOYSA-N
XLogP4.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 23826694
(2-chlorophenyl)methyl 4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carboxylate
CID 74226982
2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
1-[4-[[4-(chloromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 175453209
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
[(1R)-1-(3-acetamidophenyl)ethyl] 4-[(4-acetylpiperazin-1-yl)methyl]benzoate
CID 95152601
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 136521083
N-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-4-benzylpiperazine-1-carboxamide
CID 71829663
3-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbutanamide;trihydrochloride
CID 120504393
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide?
The IUPAC name of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide (CID 75446836) is N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide is CC(=O)N1CCN(Cc2ccc(NC(=O)C(C)c3c(Cl)cccc3Cl)cc2)CC1.
What is the InChIKey of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide?
The InChIKey is YGVHUMJIIPMPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-15(21-19(23)4-3-5-20(21)24)22(29)25-18-8-6-17(7-9-18)14-26-10-12-27(13-11-26)16(2)28/h3-9,15H,10-14H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide?
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide has a molecular weight of 434.37 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 75446836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).