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

C22H27N3O3 — CID 4144089

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-28-20-10-8-19(9-11-20)22(27)23-16-21(26)25-14-12-24(13-15-25)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,23,27)
InChIKeyZPPPKGGHZMASRF-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.16
Rot. Bonds7

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

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide (PubChem CID 4144089) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide
PubChem CID4144089
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-28-20-10-8-19(9-11-20)22(27)23-16-21(26)25-14-12-24(13-15-25)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,23,27)
InChIKeyZPPPKGGHZMASRF-UHFFFAOYSA-N
XLogP2.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Itopride
CID 3792
Itopride Hydrochloride
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2-((4-(Propan-2-yloxy)phenyl)formamido)acetic acid
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CID 44434950
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 746156
4-methoxy-N-(2-oxo-2-phenylethyl)benzamide
CID 796649

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide (CID 4144089) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide?
The InChIKey is ZPPPKGGHZMASRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-28-20-10-8-19(9-11-20)22(27)23-16-21(26)25-14-12-24(13-15-25)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide has a molecular weight of 381.48 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-ethoxybenzamide is sourced from PubChem (CID 4144089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).