N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride

C14H22ClN3O2 — CID 2958479

IUPACN-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCOc1cccc(NC(=O)CN2CCN(C)CC2)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-16-6-8-17(9-7-16)11-14(18)15-12-4-3-5-13(10-12)19-2;/h3-5,10H,6-9,11H2,1-2H3,(H,15,18);1H
InChIKeyJWVLTPDKBQIFHP-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.30
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride

N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 2958479) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID2958479
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCOc1cccc(NC(=O)CN2CCN(C)CC2)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-16-6-8-17(9-7-16)11-14(18)15-12-4-3-5-13(10-12)19-2;/h3-5,10H,6-9,11H2,1-2H3,(H,15,18);1H
InChIKeyJWVLTPDKBQIFHP-UHFFFAOYSA-N
XLogP1.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487815
1-(3-methoxyphenyl)-3-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea
CID 170861674
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18137878
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698418

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride (CID 2958479) is N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride is COc1cccc(NC(=O)CN2CCN(C)CC2)c1.Cl.
What is the InChIKey of N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is JWVLTPDKBQIFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-16-6-8-17(9-7-16)11-14(18)15-12-4-3-5-13(10-12)19-2;/h3-5,10H,6-9,11H2,1-2H3,(H,15,18);1H.
What are the key properties of N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 2958479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).