2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide

C17H27N3O2 — CID 96570196

IUPAC2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESC[C@@H](CNC(=O)Cc1ccccc1O)CN1CCN(C)CC1
InChIInChI=1S/C17H27N3O2/c1-14(13-20-9-7-19(2)8-10-20)12-18-17(22)11-15-5-3-4-6-16(15)21/h3-6,14,21H,7-13H2,1-2H3,(H,18,22)/t14-/m0/s1
InChIKeyQDIPFULOCUHLBX-AWEZNQCLSA-N
MW305.42 g/mol
LogP0.93
Rot. Bonds6

About 2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide

2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide (PubChem CID 96570196) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
PubChem CID96570196
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESC[C@@H](CNC(=O)Cc1ccccc1O)CN1CCN(C)CC1
InChIInChI=1S/C17H27N3O2/c1-14(13-20-9-7-19(2)8-10-20)12-18-17(22)11-15-5-3-4-6-16(15)21/h3-6,14,21H,7-13H2,1-2H3,(H,18,22)/t14-/m0/s1
InChIKeyQDIPFULOCUHLBX-AWEZNQCLSA-N
XLogP0.93
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide
CID 86869523
N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide
CID 114302533
3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
CID 119902468
2-(2-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 22947307
N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide
CID 86823532
2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-[(2-methylphenyl)methyl]guanidine
CID 111359064
2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 75421066
2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359063
2-(2-hydroxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 78916880
2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 83016661
3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95580603

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide (CID 96570196) is 2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide is C[C@@H](CNC(=O)Cc1ccccc1O)CN1CCN(C)CC1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide?
The InChIKey is QDIPFULOCUHLBX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(13-20-9-7-19(2)8-10-20)12-18-17(22)11-15-5-3-4-6-16(15)21/h3-6,14,21H,7-13H2,1-2H3,(H,18,22)/t14-/m0/s1.
What are the key properties of 2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide?
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 96570196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).