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

C26H27N3O3 — CID 27671405

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H27N3O3/c30-25(29-17-15-28(16-18-29)20-21-7-3-1-4-8-21)19-27-26(31)22-11-13-24(14-12-22)32-23-9-5-2-6-10-23/h1-14H,15-20H2,(H,27,31)
InChIKeyLIINZIVXMVYWOS-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.55
Rot. Bonds7

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

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide (PubChem CID 27671405) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
PubChem CID27671405
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H27N3O3/c30-25(29-17-15-28(16-18-29)20-21-7-3-1-4-8-21)19-27-26(31)22-11-13-24(14-12-22)32-23-9-5-2-6-10-23/h1-14H,15-20H2,(H,27,31)
InChIKeyLIINZIVXMVYWOS-UHFFFAOYSA-N
XLogP3.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 88975994
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 27671411
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-pyrrol-1-ylbenzamide
CID 60592781
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]-2-phenoxyacetamide
CID 7779440
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9041718
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
CID 14851781
4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 9105801
1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone
CID 57345556

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide (CID 27671405) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide is O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide?
The InChIKey is LIINZIVXMVYWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c30-25(29-17-15-28(16-18-29)20-21-7-3-1-4-8-21)19-27-26(31)22-11-13-24(14-12-22)32-23-9-5-2-6-10-23/h1-14H,15-20H2,(H,27,31).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide has a molecular weight of 429.52 g/mol, XLogP of 3.55, 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-phenoxybenzamide is sourced from PubChem (CID 27671405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).