N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

C22H29N3O4 — CID 109033777

IUPACN-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN(CCC(=O)Nc3cc(OC)ccc3OC)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-27-18-6-4-17(5-7-18)25-14-12-24(13-15-25)11-10-22(26)23-20-16-19(28-2)8-9-21(20)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyBQDQJFCOTRYQFU-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.86
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 109033777) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID109033777
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN(CCC(=O)Nc3cc(OC)ccc3OC)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-27-18-6-4-17(5-7-18)25-14-12-24(13-15-25)11-10-22(26)23-20-16-19(28-2)8-9-21(20)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyBQDQJFCOTRYQFU-UHFFFAOYSA-N
XLogP2.86
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033774
3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 109018366
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109027353
N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033747
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 739992
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033786
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)propanamide
CID 87015722
N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 3241935
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 22430341

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (CID 109033777) is N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccc(N2CCN(CCC(=O)Nc3cc(OC)ccc3OC)CC2)cc1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is BQDQJFCOTRYQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-27-18-6-4-17(5-7-18)25-14-12-24(13-15-25)11-10-22(26)23-20-16-19(28-2)8-9-21(20)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 399.49 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109033777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).