N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide

C21H28N4O — CID 113013734

IUPACN-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H28N4O/c1-17(2)14-21(26)23-19-8-9-20(22-15-19)25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-9,15,17H,10-14,16H2,1-2H3,(H,23,26)
InChIKeyMGYWQABQTYHLCF-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.39
Rot. Bonds6

About N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide

N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide (PubChem CID 113013734) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
PubChem CID113013734
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H28N4O/c1-17(2)14-21(26)23-19-8-9-20(22-15-19)25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-9,15,17H,10-14,16H2,1-2H3,(H,23,26)
InChIKeyMGYWQABQTYHLCF-UHFFFAOYSA-N
XLogP3.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42850231
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenoxyacetamide
CID 46054009
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 46042185
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 46157166
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42849978
ethyl 4-[5-(3-methylbutanoylamino)-2-pyridinyl]piperazine-1-carboxylate
CID 113014216
(2R)-N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 92987360
N-[6-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 42857480
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
2-phenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 155597278
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053831
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 42857527

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide (CID 113013734) is N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide?
The InChIKey is MGYWQABQTYHLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17(2)14-21(26)23-19-8-9-20(22-15-19)25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-9,15,17H,10-14,16H2,1-2H3,(H,23,26).
What are the key properties of N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide?
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide has a molecular weight of 352.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 113013734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).