N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide

C21H25N3O2 — CID 174684643

IUPACN-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(c3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-12-16(2)14-20(13-15)23-8-10-24(11-9-23)21(26)18-4-6-19(7-5-18)22-17(3)25/h4-7,12-14H,8-11H2,1-3H3,(H,22,25)
InChIKeyJPQPQVOOEZRCGK-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.22
Rot. Bonds3

About N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide

N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 174684643) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID174684643
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(c3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-12-16(2)14-20(13-15)23-8-10-24(11-9-23)21(26)18-4-6-19(7-5-18)22-17(3)25/h4-7,12-14H,8-11H2,1-3H3,(H,22,25)
InChIKeyJPQPQVOOEZRCGK-UHFFFAOYSA-N
XLogP3.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]thiourea
CID 50896011
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 113080335
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
N-[4-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
CID 53041887
N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17489391

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide (CID 174684643) is N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCN(c3cc(C)cc(C)c3)CC2)cc1.
What is the InChIKey of N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is JPQPQVOOEZRCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-12-16(2)14-20(13-15)23-8-10-24(11-9-23)21(26)18-4-6-19(7-5-18)22-17(3)25/h4-7,12-14H,8-11H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 174684643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).