2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

C17H28ClN3O — CID 119446443

IUPAC2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCC(C)(Cc1ccccc1)C(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-17(2,14-15-6-4-3-5-7-15)16(21)19-10-13-20-11-8-18-9-12-20;/h3-7,18H,8-14H2,1-2H3,(H,19,21);1H
InChIKeyAIQLADDXSDNHTF-UHFFFAOYSA-N
MW325.88 g/mol
LogP1.70
Rot. Bonds6

About 2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (PubChem CID 119446443) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
PubChem CID119446443
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCC(C)(Cc1ccccc1)C(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-17(2,14-15-6-4-3-5-7-15)16(21)19-10-13-20-11-8-18-9-12-20;/h3-7,18H,8-14H2,1-2H3,(H,19,21);1H
InChIKeyAIQLADDXSDNHTF-UHFFFAOYSA-N
XLogP1.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446515
2-(dibenzylamino)-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446477
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
2-methyl-N-(3-phenylpropyl)-2-piperazin-1-ylpropanamide
CID 80547453
2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445254
2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448601
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201
2-benzylsulfanyl-3-methyl-N-(2-piperazin-1-ylethyl)butanamide
CID 119447080
N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide
CID 108503431
3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide
CID 138647753
3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445184
3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446987

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The IUPAC name of 2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (CID 119446443) is 2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is CC(C)(Cc1ccccc1)C(=O)NCCN1CCNCC1.Cl.
What is the InChIKey of 2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The InChIKey is AIQLADDXSDNHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-17(2,14-15-6-4-3-5-7-15)16(21)19-10-13-20-11-8-18-9-12-20;/h3-7,18H,8-14H2,1-2H3,(H,19,21);1H.
What are the key properties of 2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119446443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).