N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide

C22H29N3O3 — CID 51281768

IUPACN-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCN(c3cccc(C)c3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-16-6-5-7-19(14-16)25-12-10-24(11-13-25)17(2)22(26)23-18-8-9-20(27-3)21(15-18)28-4/h5-9,14-15,17H,10-13H2,1-4H3,(H,23,26)
InChIKeyGFCKCPXGRBMPKS-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.16
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide

N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 51281768) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
PubChem CID51281768
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCN(c3cccc(C)c3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-16-6-5-7-19(14-16)25-12-10-24(11-13-25)17(2)22(26)23-18-8-9-20(27-3)21(15-18)28-4/h5-9,14-15,17H,10-13H2,1-4H3,(H,23,26)
InChIKeyGFCKCPXGRBMPKS-UHFFFAOYSA-N
XLogP3.16
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630982
2-(4-benzhydrylpiperazin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 55430572
2-(3,4-dimethoxyanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004058
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46561315
N-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46162196
(2S)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 8719695
2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 20993320
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
(2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127732
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17449931
2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 51322952
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide (CID 51281768) is N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide is COc1ccc(NC(=O)C(C)N2CCN(c3cccc(C)c3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is GFCKCPXGRBMPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16-6-5-7-19(14-16)25-12-10-24(11-13-25)17(2)22(26)23-18-8-9-20(27-3)21(15-18)28-4/h5-9,14-15,17H,10-13H2,1-4H3,(H,23,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 383.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 51281768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).