2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide

C17H27N3O — CID 22314816

IUPAC2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,16(21)18(3)4)20-12-10-19(11-13-20)14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3
InChIKeyGRFGSHQSCWOSFZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.67
Rot. Bonds4

About 2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide

2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide (PubChem CID 22314816) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide
PubChem CID22314816
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,16(21)18(3)4)20-12-10-19(11-13-20)14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3
InChIKeyGRFGSHQSCWOSFZ-UHFFFAOYSA-N
XLogP1.67
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[(4-tert-butylpiperazin-1-yl)methyl]benzoic acid
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N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
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1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
2,3-diamino-2-(4-benzylpiperazin-1-yl)propanamide
CID 70473763
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
1-(4-benzylpiperazin-1-yl)butan-2-one
CID 22120198
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
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CID 76892322

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide (CID 22314816) is 2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide is CN(C)C(=O)C(C)(C)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide?
The InChIKey is GRFGSHQSCWOSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,16(21)18(3)4)20-12-10-19(11-13-20)14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide?
2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide is sourced from PubChem (CID 22314816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).