(2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

C20H26N3O2+ — CID 9250159

IUPAC(2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-16(20(24)21-17-8-10-19(25-2)11-9-17)22-12-14-23(15-13-22)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,21,24)/p+1/t16-/m1/s1
InChIKeyZTBYALNYLCHTED-MRXNPFEDSA-O
MW340.45 g/mol
LogP1.43
Rot. Bonds5

About (2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

(2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide (PubChem CID 9250159) has the molecular formula C20H26N3O2+ and a molecular weight of 340.45 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
PubChem CID9250159
Molecular FormulaC20H26N3O2+
Molecular Weight340.45 g/mol
Exact Mass340.20
IUPAC Name(2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-16(20(24)21-17-8-10-19(25-2)11-9-17)22-12-14-23(15-13-22)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,21,24)/p+1/t16-/m1/s1
InChIKeyZTBYALNYLCHTED-MRXNPFEDSA-O
XLogP1.43
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide
CID 9493902
(2R)-N-(3,4-difluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461926
(2R)-N-(2,6-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461820
(2S)-N-(2-ethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461943
(2R)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461849
ethyl 4-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate
CID 9431116
(2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9443950
(2S)-N-(2,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461811
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461808
(2S)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9267789
(2R)-N-cycloheptyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461962
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide (CID 9250159) is (2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide is COc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide?
The InChIKey is ZTBYALNYLCHTED-MRXNPFEDSA-O. The full InChI is InChI=1S/C20H25N3O2/c1-16(20(24)21-17-8-10-19(25-2)11-9-17)22-12-14-23(15-13-22)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,21,24)/p+1/t16-/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide?
(2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide is sourced from PubChem (CID 9250159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).