3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

C16H26ClN3O2 — CID 119447173

IUPAC3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)NCCN2CCNCC2)c1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-14-3-2-4-15(13-14)21-12-5-16(20)18-8-11-19-9-6-17-7-10-19;/h2-4,13,17H,5-12H2,1H3,(H,18,20);1H
InChIKeyYRPFQTGIHKKZAA-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.21
Rot. Bonds7

About 3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (PubChem CID 119447173) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
PubChem CID119447173
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)NCCN2CCNCC2)c1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-14-3-2-4-15(13-14)21-12-5-16(20)18-8-11-19-9-6-17-7-10-19;/h2-4,13,17H,5-12H2,1H3,(H,18,20);1H
InChIKeyYRPFQTGIHKKZAA-UHFFFAOYSA-N
XLogP1.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119447863
3-(3,5-dimethylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393354
2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446399
3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445997
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
3-(3-methoxyphenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 153319158
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide
CID 62211308
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The IUPAC name of 3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (CID 119447173) is 3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is Cc1cccc(OCCC(=O)NCCN2CCNCC2)c1.Cl.
What is the InChIKey of 3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The InChIKey is YRPFQTGIHKKZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-14-3-2-4-15(13-14)21-12-5-16(20)18-8-11-19-9-6-17-7-10-19;/h2-4,13,17H,5-12H2,1H3,(H,18,20);1H.
What are the key properties of 3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119447173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).