N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide

C22H27N3O3 — CID 110368212

IUPACN-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1
InChIInChI=1S/C22H27N3O3/c1-17(26)24-11-13-25(14-12-24)20-7-4-6-19(16-20)23-22(27)10-9-18-5-3-8-21(15-18)28-2/h3-8,15-16H,9-14H2,1-2H3,(H,23,27)
InChIKeySMDNAAONHDSFDL-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.93
Rot. Bonds6

About N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide

N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide (PubChem CID 110368212) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide
PubChem CID110368212
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1
InChIInChI=1S/C22H27N3O3/c1-17(26)24-11-13-25(14-12-24)20-7-4-6-19(16-20)23-22(27)10-9-18-5-3-8-21(15-18)28-2/h3-8,15-16H,9-14H2,1-2H3,(H,23,27)
InChIKeySMDNAAONHDSFDL-UHFFFAOYSA-N
XLogP2.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 110673093
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592549
3-(3-methoxyphenyl)-N-(3-propan-2-ylphenyl)propanamide
CID 36568159
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
3-(3-methoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 34251751
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53370700
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110613002

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide (CID 110368212) is N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is SMDNAAONHDSFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17(26)24-11-13-25(14-12-24)20-7-4-6-19(16-20)23-22(27)10-9-18-5-3-8-21(15-18)28-2/h3-8,15-16H,9-14H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide?
N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 110368212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).