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

C20H29N3O2 — CID 46157809

IUPAC1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-17(24)22-11-13-23(14-12-22)20(25)16-21-9-7-19(8-10-21)15-18-5-3-2-4-6-18/h2-6,19H,7-16H2,1H3
InChIKeySXWSMPPXCDIDAD-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.63
Rot. Bonds4

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

1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone (PubChem CID 46157809) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
PubChem CID46157809
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-17(24)22-11-13-23(14-12-22)20(25)16-21-9-7-19(8-10-21)15-18-5-3-2-4-6-18/h2-6,19H,7-16H2,1H3
InChIKeySXWSMPPXCDIDAD-UHFFFAOYSA-N
XLogP1.63
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596
1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 136579513
1-(4-benzylpiperidin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8004165
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
8-[2-(4-benzylpiperidin-1-yl)acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46978311
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859
1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 653752
1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121783
2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
CID 86581556
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone (CID 46157809) is 1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone is CC(=O)N1CCN(C(=O)CN2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone?
The InChIKey is SXWSMPPXCDIDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-17(24)22-11-13-23(14-12-22)20(25)16-21-9-7-19(8-10-21)15-18-5-3-2-4-6-18/h2-6,19H,7-16H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone has a molecular weight of 343.47 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone is sourced from PubChem (CID 46157809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).