N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide

C28H31N3O4 — CID 17358556

IUPACN-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide
SMILESCCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)CC2)cc1
InChIInChI=1S/C28H31N3O4/c1-4-20-5-7-21(8-6-20)28(33)31-17-15-30(16-18-31)24-12-10-23(11-13-24)29-27(32)22-9-14-25(34-2)26(19-22)35-3/h5-14,19H,4,15-18H2,1-3H3,(H,29,32)
InChIKeyAXNJCCPDOYUANH-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.48
Rot. Bonds7

About N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide

N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 17358556) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide
PubChem CID17358556
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC NameN-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide
SMILESCCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)CC2)cc1
InChIInChI=1S/C28H31N3O4/c1-4-20-5-7-21(8-6-20)28(33)31-17-15-30(16-18-31)24-12-10-23(11-13-24)29-27(32)22-9-14-25(34-2)26(19-22)35-3/h5-14,19H,4,15-18H2,1-3H3,(H,29,32)
InChIKeyAXNJCCPDOYUANH-UHFFFAOYSA-N
XLogP4.48
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-triethoxy-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17358334
3-chloro-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 17050618
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
CID 17050565
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
dimethyl (E)-2-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]anilino]but-2-enedioate
CID 168569737
3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
CID 110288135
3,4-dimethoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 2238784
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-2-iodobenzamide
CID 17358702
N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 3750010
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 17481283
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 24537959
N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-3,4-dimethylbenzamide
CID 17127932

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide (CID 17358556) is N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide is CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is AXNJCCPDOYUANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-4-20-5-7-21(8-6-20)28(33)31-17-15-30(16-18-31)24-12-10-23(11-13-24)29-27(32)22-9-14-25(34-2)26(19-22)35-3/h5-14,19H,4,15-18H2,1-3H3,(H,29,32).
What are the key properties of N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide?
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 473.57 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 17358556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).