N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide

C23H29N3O3 — CID 3140260

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)c1
InChIInChI=1S/C23H29N3O3/c1-3-4-16-29-22-7-5-6-19(17-22)23(28)24-20-8-10-21(11-9-20)26-14-12-25(13-15-26)18(2)27/h5-11,17H,3-4,12-16H2,1-2H3,(H,24,28)
InChIKeyWBHXHXJHVRXXDR-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.79
Rot. Bonds7

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide (PubChem CID 3140260) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide
PubChem CID3140260
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)c1
InChIInChI=1S/C23H29N3O3/c1-3-4-16-29-22-7-5-6-19(17-22)23(28)24-20-8-10-21(11-9-20)26-14-12-25(13-15-26)18(2)27/h5-11,17H,3-4,12-16H2,1-2H3,(H,24,28)
InChIKeyWBHXHXJHVRXXDR-UHFFFAOYSA-N
XLogP3.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 2200234
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-propoxybenzamide
CID 5202976
3-butoxy-N-[[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 17334277
3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 834145
N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-propoxybenzamide
CID 17050493
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
ethyl 4-[4-[(3-methoxybenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984389
3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179701
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide (CID 3140260) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide is CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)c1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide?
The InChIKey is WBHXHXJHVRXXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-4-16-29-22-7-5-6-19(17-22)23(28)24-20-8-10-21(11-9-20)26-14-12-25(13-15-26)18(2)27/h5-11,17H,3-4,12-16H2,1-2H3,(H,24,28).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide has a molecular weight of 395.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide is sourced from PubChem (CID 3140260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).