N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide

C20H23N3O2 — CID 2095623

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(15-21-20(25)18-9-5-2-6-10-18)23-13-11-22(12-14-23)16-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,21,25)
InChIKeyYDUVZZXMIVJJJG-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.76
Rot. Bonds5

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide (PubChem CID 2095623) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
PubChem CID2095623
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c24-19(15-21-20(25)18-9-5-2-6-10-18)23-13-11-22(12-14-23)16-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,21,25)
InChIKeyYDUVZZXMIVJJJG-UHFFFAOYSA-N
XLogP1.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-pyrrol-1-ylbenzamide
CID 60592781
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 27671411
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106255
N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide
CID 35857881
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9041718
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 119872718

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide (CID 2095623) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is YDUVZZXMIVJJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(15-21-20(25)18-9-5-2-6-10-18)23-13-11-22(12-14-23)16-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,21,25).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 2095623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).