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

C21H27N3O4 — CID 46630982

IUPACN-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCN(c3ccc(O)cc3)CC2)cc1OC
InChIInChI=1S/C21H27N3O4/c1-15(21(26)22-16-4-9-19(27-2)20(14-16)28-3)23-10-12-24(13-11-23)17-5-7-18(25)8-6-17/h4-9,14-15,25H,10-13H2,1-3H3,(H,22,26)
InChIKeyYNJGAGHXSLTOQD-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.56
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 46630982) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID46630982
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCN(c3ccc(O)cc3)CC2)cc1OC
InChIInChI=1S/C21H27N3O4/c1-15(21(26)22-16-4-9-19(27-2)20(14-16)28-3)23-10-12-24(13-11-23)17-5-7-18(25)8-6-17/h4-9,14-15,25H,10-13H2,1-3H3,(H,22,26)
InChIKeyYNJGAGHXSLTOQD-UHFFFAOYSA-N
XLogP2.56
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 51281768
(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096677
N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4264771
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096596
2-(4-benzhydrylpiperazin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 55430572
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
(2R)-N-(3-fluoro-4-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461953
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 1439451
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093944

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (CID 46630982) is N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is COc1ccc(NC(=O)C(C)N2CCN(c3ccc(O)cc3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is YNJGAGHXSLTOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15(21(26)22-16-4-9-19(27-2)20(14-16)28-3)23-10-12-24(13-11-23)17-5-7-18(25)8-6-17/h4-9,14-15,25H,10-13H2,1-3H3,(H,22,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 385.46 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46630982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).