2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide

C21H27N3O2 — CID 18078494

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
SMILESCOc1ccc(N2CCN(C(C)C(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16-4-6-18(7-5-16)22-21(25)17(2)23-12-14-24(15-13-23)19-8-10-20(26-3)11-9-19/h4-11,17H,12-15H2,1-3H3,(H,22,25)
InChIKeyKWCMNIQCXRZOSB-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.15
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide (PubChem CID 18078494) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
PubChem CID18078494
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
SMILESCOc1ccc(N2CCN(C(C)C(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16-4-6-18(7-5-16)22-21(25)17(2)23-12-14-24(15-13-23)19-8-10-20(26-3)11-9-19/h4-11,17H,12-15H2,1-3H3,(H,22,25)
InChIKeyKWCMNIQCXRZOSB-UHFFFAOYSA-N
XLogP3.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
(2R)-N-(3-fluoro-4-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461953
2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55829823
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 1439451
N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093944
(2R)-N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461838
(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461848
N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3229528
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46162037

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide (CID 18078494) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide is COc1ccc(N2CCN(C(C)C(=O)Nc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The InChIKey is KWCMNIQCXRZOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-4-6-18(7-5-16)22-21(25)17(2)23-12-14-24(15-13-23)19-8-10-20(26-3)11-9-19/h4-11,17H,12-15H2,1-3H3,(H,22,25).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 18078494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).