1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C19H27N3O — CID 59011726

IUPAC1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC1=CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H27N3O/c1-17-7-9-20(10-8-17)16-19(23)22-13-11-21(12-14-22)15-18-5-3-2-4-6-18/h2-7H,8-16H2,1H3
InChIKeyJIAYCQAGEMESTM-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.98
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 59011726) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID59011726
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC1=CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H27N3O/c1-17-7-9-20(10-8-17)16-19(23)22-13-11-21(12-14-22)15-18-5-3-2-4-6-18/h2-7H,8-16H2,1H3
InChIKeyJIAYCQAGEMESTM-UHFFFAOYSA-N
XLogP1.98
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-3-methylpyrazol-1-yl)ethanone
CID 19289275
1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 109002007
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
1-(4-benzylpiperazin-1-yl)-2-(4-bromo-3-methylpyrazol-1-yl)ethanone
CID 19289240
2-(4-benzoylpiperazin-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 24677865
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9348757

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 59011726) is 1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is CC1=CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is JIAYCQAGEMESTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-17-7-9-20(10-8-17)16-19(23)22-13-11-21(12-14-22)15-18-5-3-2-4-6-18/h2-7H,8-16H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 313.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 59011726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).