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

C17H27N3O2 — CID 51242874

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H27N3O2/c1-4-9-18-17(21)14(2)19-10-12-20(13-11-19)15-5-7-16(22-3)8-6-15/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyHLXJCWNBVGMPKU-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.73
Rot. Bonds6

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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide (PubChem CID 51242874) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
PubChem CID51242874
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H27N3O2/c1-4-9-18-17(21)14(2)19-10-12-20(13-11-19)15-5-7-16(22-3)8-6-15/h5-8,14H,4,9-13H2,1-3H3,(H,18,21)
InChIKeyHLXJCWNBVGMPKU-UHFFFAOYSA-N
XLogP1.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.73
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-(2-methylpropyl)propanamide
CID 46162037
(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)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9493027
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
(2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide
CID 40741789
(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
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 83284147
2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide
CID 43461777

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide (CID 51242874) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide?
The InChIKey is HLXJCWNBVGMPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-9-18-17(21)14(2)19-10-12-20(13-11-19)15-5-7-16(22-3)8-6-15/h5-8,14H,4,9-13H2,1-3H3,(H,18,21).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide has a molecular weight of 305.42 g/mol, XLogP of 1.73, 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-propylpropanamide is sourced from PubChem (CID 51242874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).