N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide

C20H23N3O2 — CID 71822640

IUPACN-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-3-9-19(10-4-15)22-11-13-23(14-12-22)20(25)17-5-7-18(8-6-17)21-16(2)24/h3-10H,11-14H2,1-2H3,(H,21,24)
InChIKeyBAVSDEXASXAAIA-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.92
Rot. Bonds3

About N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide

N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 71822640) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID71822640
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-15-3-9-19(10-4-15)22-11-13-23(14-12-22)20(25)17-5-7-18(8-6-17)21-16(2)24/h3-10H,11-14H2,1-2H3,(H,21,24)
InChIKeyBAVSDEXASXAAIA-UHFFFAOYSA-N
XLogP2.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 174684643
[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]thiourea
CID 50896011
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517
N-[4-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
CID 53041887
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 23095359
3,5-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2947044
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
3-bromo-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2215467
N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylbenzamide
CID 3917677
N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 5036336

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide (CID 71822640) is N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is BAVSDEXASXAAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-3-9-19(10-4-15)22-11-13-23(14-12-22)20(25)17-5-7-18(8-6-17)21-16(2)24/h3-10H,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 71822640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).