N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide

C18H29N3O — CID 39984129

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-18(2,3)17(22)19-9-10-20-11-13-21(14-12-20)15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H,19,22)
InChIKeyKXTKDFDMSOILEL-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.97
Rot. Bonds5

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 39984129) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID39984129
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-18(2,3)17(22)19-9-10-20-11-13-21(14-12-20)15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H,19,22)
InChIKeyKXTKDFDMSOILEL-UHFFFAOYSA-N
XLogP1.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2,2-dimethylpropanamide
CID 37165106
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
(2S)-2-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]butanamide;trihydrochloride
CID 119900995
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892815
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
CID 120703889
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
CID 14762566
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111869208
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide
CID 134014925
tert-butyl N-[3-[[N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111886823
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide
CID 39302279

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide (CID 39984129) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is KXTKDFDMSOILEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-18(2,3)17(22)19-9-10-20-11-13-21(14-12-20)15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 303.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 39984129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).