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

C18H29N3O2 — CID 46162037

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(N2CCN(C(C)C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-14(2)13-19-18(22)15(3)20-9-11-21(12-10-20)16-5-7-17(23-4)8-6-16/h5-8,14-15H,9-13H2,1-4H3,(H,19,22)
InChIKeyQZTURFWWQMWBHG-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.98
Rot. Bonds6

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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 46162037) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID46162037
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(N2CCN(C(C)C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-14(2)13-19-18(22)15(3)20-9-11-21(12-10-20)16-5-7-17(23-4)8-6-16/h5-8,14-15H,9-13H2,1-4H3,(H,19,22)
InChIKeyQZTURFWWQMWBHG-UHFFFAOYSA-N
XLogP1.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.98
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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461848
(2R)-N-[(2-methoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461984
N-[(2-methoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 51242875
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8587824
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971255
N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093958
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 7163085

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide (CID 46162037) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide is COc1ccc(N2CCN(C(C)C(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is QZTURFWWQMWBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)13-19-18(22)15(3)20-9-11-21(12-10-20)16-5-7-17(23-4)8-6-16/h5-8,14-15H,9-13H2,1-4H3,(H,19,22).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 1.98, 6 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 46162037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).