N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide

C26H27N3O3 — CID 1337112

IUPACN-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c1
InChIInChI=1S/C26H27N3O3/c1-20-6-5-9-24(18-20)32-19-25(30)27-22-10-12-23(13-11-22)28-14-16-29(17-15-28)26(31)21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3,(H,27,30)
InChIKeyVIXUTLLFLHGTCJ-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.97
Rot. Bonds6

About N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide

N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 1337112) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide
PubChem CID1337112
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c1
InChIInChI=1S/C26H27N3O3/c1-20-6-5-9-24(18-20)32-19-25(30)27-22-10-12-23(13-11-22)28-14-16-29(17-15-28)26(31)21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3,(H,27,30)
InChIKeyVIXUTLLFLHGTCJ-UHFFFAOYSA-N
XLogP3.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

GR-103691
CID 4302960
Mazapertine
CID 60820
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
Ncgc607
CID 46943210
Salverine
CID 65585
1-(4-Ethoxybenzoyl)-4-phenylpiperazine
CID 710515
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-phenoxyphenyl)formamido]propanamide
CID 23648336
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
Azepan-1-yl-{3-[4-(2-ethoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-methanone
CID 10835967
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbenzamide
CID 10939167
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide
CID 53326601

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide (CID 1337112) is N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c1.
What is the InChIKey of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is VIXUTLLFLHGTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-20-6-5-9-24(18-20)32-19-25(30)27-22-10-12-23(13-11-22)28-14-16-29(17-15-28)26(31)21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3,(H,27,30).
What are the key properties of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide?
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 429.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 1337112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).