N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide

C22H29N3O3 — CID 57259350

IUPACN-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(O)CN1CCN(c2ccccc2C)CC1
InChIInChI=1S/C22H29N3O3/c1-17-7-3-5-9-21(17)25-13-11-24(12-14-25)15-19(27)16-28-22-10-6-4-8-20(22)23-18(2)26/h3-10,19,27H,11-16H2,1-2H3,(H,23,26)
InChIKeyCWCHXEBZHLYABD-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.52
Rot. Bonds7

About N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide

N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide (PubChem CID 57259350) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
PubChem CID57259350
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(O)CN1CCN(c2ccccc2C)CC1
InChIInChI=1S/C22H29N3O3/c1-17-7-3-5-9-21(17)25-13-11-24(12-14-25)15-19(27)16-28-22-10-6-4-8-20(22)23-18(2)26/h3-10,19,27H,11-16H2,1-2H3,(H,23,26)
InChIKeyCWCHXEBZHLYABD-UHFFFAOYSA-N
XLogP2.52
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 3795191
1-[2-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one
CID 73348151
1-(2-aminophenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol;trihydrochloride
CID 3049135
(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 1050588
1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 1259558
N-[2-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 97243371
N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide
CID 54131410
N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 3558526
1-[3-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]ethanone
CID 11314650
1-(2,3-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 18807413
[3-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]-phenylmethanone
CID 57385271
N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10159022

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide (CID 57259350) is N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCC(O)CN1CCN(c2ccccc2C)CC1.
What is the InChIKey of N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
The InChIKey is CWCHXEBZHLYABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17-7-3-5-9-21(17)25-13-11-24(12-14-25)15-19(27)16-28-22-10-6-4-8-20(22)23-18(2)26/h3-10,19,27H,11-16H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide is sourced from PubChem (CID 57259350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).