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

C21H27N3O2 — CID 17450172

IUPAC2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16-7-9-18(10-8-16)15-22-21(26)17(2)23-11-13-24(14-12-23)19-5-3-4-6-20(19)25/h3-10,17,25H,11-15H2,1-2H3,(H,22,26)
InChIKeyMYZOEKMIBAPCMX-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.53
Rot. Bonds5

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

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 17450172) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID17450172
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)N2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16-7-9-18(10-8-16)15-22-21(26)17(2)23-11-13-24(14-12-23)19-5-3-4-6-20(19)25/h3-10,17,25H,11-15H2,1-2H3,(H,22,26)
InChIKeyMYZOEKMIBAPCMX-UHFFFAOYSA-N
XLogP2.53
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 40789924
(2R)-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445607
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432670
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9432729
N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 86993654
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
(2S)-N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31873600
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 110880118
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 46561331
4-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide
CID 17374145
(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432613
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]propanamide
CID 92984622

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide (CID 17450172) is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)N2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is MYZOEKMIBAPCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-7-9-18(10-8-16)15-22-21(26)17(2)23-11-13-24(14-12-23)19-5-3-4-6-20(19)25/h3-10,17,25H,11-15H2,1-2H3,(H,22,26).
What are the key properties of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 17450172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).