2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone

C20H31N3O — CID 108995596

IUPAC2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3O/c1-2-21-12-14-23(15-13-21)20(24)17-22-10-8-19(9-11-22)16-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3
InChIKeyBHMQYOSANLNTIR-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.11
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone

2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 108995596) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID108995596
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H31N3O/c1-2-21-12-14-23(15-13-21)20(24)17-22-10-8-19(9-11-22)16-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3
InChIKeyBHMQYOSANLNTIR-UHFFFAOYSA-N
XLogP2.11
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46043505
1-(4-benzylpiperidin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8004165
ethane;1-(4-ethylpiperazin-1-yl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 162725519
1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 653752
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
8-[2-(4-benzylpiperidin-1-yl)acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46978311
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859
1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90533380
1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone (CID 108995596) is 2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is BHMQYOSANLNTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-2-21-12-14-23(15-13-21)20(24)17-22-10-8-19(9-11-22)16-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 329.49 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108995596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).