2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

C16H25Cl2N3O — CID 119446515

IUPAC2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCC(C)(C(=O)NCCN1CCNCC1)c1ccccc1Cl.Cl
InChIInChI=1S/C16H24ClN3O.ClH/c1-16(2,13-5-3-4-6-14(13)17)15(21)19-9-12-20-10-7-18-8-11-20;/h3-6,18H,7-12H2,1-2H3,(H,19,21);1H
InChIKeyMWYSDMBZJCRWSD-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.06
Rot. Bonds5

About 2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (PubChem CID 119446515) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
PubChem CID119446515
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCC(C)(C(=O)NCCN1CCNCC1)c1ccccc1Cl.Cl
InChIInChI=1S/C16H24ClN3O.ClH/c1-16(2,13-5-3-4-6-14(13)17)15(21)19-9-12-20-10-7-18-8-11-20;/h3-6,18H,7-12H2,1-2H3,(H,19,21);1H
InChIKeyMWYSDMBZJCRWSD-UHFFFAOYSA-N
XLogP2.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446443
2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445254
2-chloro-6-(2-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448747
2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448601
(3R)-3-(2-chlorophenyl)-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide
CID 97283785
2,2-dimethyl-N-[3-oxo-3-(2-piperazin-1-ylethylamino)propyl]propanamide
CID 119445483
methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate
CID 54895358
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392698
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (CID 119446515) is 2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is CC(C)(C(=O)NCCN1CCNCC1)c1ccccc1Cl.Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The InChIKey is MWYSDMBZJCRWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O.ClH/c1-16(2,13-5-3-4-6-14(13)17)15(21)19-9-12-20-10-7-18-8-11-20;/h3-6,18H,7-12H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119446515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).