(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide

C21H27N3O2 — CID 40680683

IUPAC(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-17(21(25)22-16-18-8-10-20(26-2)11-9-18)23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyXBETVCMTYRNRRT-QGZVFWFLSA-N
MW353.47 g/mol
LogP2.52
Rot. Bonds6

About (2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide

(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 40680683) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
PubChem CID40680683
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-17(21(25)22-16-18-8-10-20(26-2)11-9-18)23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyXBETVCMTYRNRRT-QGZVFWFLSA-N
XLogP2.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 46561331
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
(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
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 53370060
(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250304
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46162037
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2471637

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide (CID 40680683) is (2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide is COc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of (2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is XBETVCMTYRNRRT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17(21(25)22-16-18-8-10-20(26-2)11-9-18)23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide?
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 40680683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).