1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone

C19H29N3O — CID 109002007

IUPAC1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3O/c1-17-6-5-9-21(14-17)16-19(23)22-12-10-20(11-13-22)15-18-7-3-2-4-8-18/h2-4,7-8,17H,5-6,9-16H2,1H3
InChIKeyZKTFQEUPGZDRHJ-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.06
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone

1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone (PubChem CID 109002007) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
PubChem CID109002007
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3O/c1-17-6-5-9-21(14-17)16-19(23)22-12-10-20(11-13-22)15-18-7-3-2-4-8-18/h2-4,7-8,17H,5-6,9-16H2,1H3
InChIKeyZKTFQEUPGZDRHJ-UHFFFAOYSA-N
XLogP2.06
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-benzyl-3-methylpiperidine
CID 2794856
1-(4-benzylpiperazin-1-yl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108964806
1-(4-benzylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942723
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone
CID 119919779
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 109000068
1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 110921480
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
1-(4-benzylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504526
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 109004012

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone (CID 109002007) is 1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(CC(=O)N2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is ZKTFQEUPGZDRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-17-6-5-9-21(14-17)16-19(23)22-12-10-20(11-13-22)15-18-7-3-2-4-8-18/h2-4,7-8,17H,5-6,9-16H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 315.46 g/mol, XLogP of 2.06, 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-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 109002007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).