N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide

C22H26ClN3O3 — CID 17177021

IUPACN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C22H26ClN3O3/c1-3-15-29-18-9-7-17(8-10-18)22(28)24-20-6-4-5-19(23)21(20)26-13-11-25(12-14-26)16(2)27/h4-10H,3,11-15H2,1-2H3,(H,24,28)
InChIKeyDBOFEARTKPAYRW-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.05
Rot. Bonds6

About N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide (PubChem CID 17177021) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide
PubChem CID17177021
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C22H26ClN3O3/c1-3-15-29-18-9-7-17(8-10-18)22(28)24-20-6-4-5-19(23)21(20)26-13-11-25(12-14-26)16(2)27/h4-10H,3,11-15H2,1-2H3,(H,24,28)
InChIKeyDBOFEARTKPAYRW-UHFFFAOYSA-N
XLogP4.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-(3-chloro-2-pyrrolidin-1-ylphenyl)benzamide
CID 4000816
4-butoxy-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17066222
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide
CID 17176995
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-[(2S)-butan-2-yl]oxybenzamide
CID 41316307
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 5030809
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17177111
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 2949164
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 21168713
4-butoxy-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 22775492
4-butoxy-N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 21169593

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide (CID 17177021) is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide?
The InChIKey is DBOFEARTKPAYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-3-15-29-18-9-7-17(8-10-18)22(28)24-20-6-4-5-19(23)21(20)26-13-11-25(12-14-26)16(2)27/h4-10H,3,11-15H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide?
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide has a molecular weight of 415.92 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide is sourced from PubChem (CID 17177021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).