3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide

C22H27N3O2 — CID 110422011

IUPAC3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
SMILESCc1ccc(C(=O)N2CCN(CCC(=O)Nc3ccccc3)CC2)cc1C
InChIInChI=1S/C22H27N3O2/c1-17-8-9-19(16-18(17)2)22(27)25-14-12-24(13-15-25)11-10-21(26)23-20-6-4-3-5-7-20/h3-9,16H,10-15H2,1-2H3,(H,23,26)
InChIKeyBVXUYWOJYYUSRD-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.09
Rot. Bonds5

About 3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide

3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide (PubChem CID 110422011) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
PubChem CID110422011
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
SMILESCc1ccc(C(=O)N2CCN(CCC(=O)Nc3ccccc3)CC2)cc1C
InChIInChI=1S/C22H27N3O2/c1-17-8-9-19(16-18(17)2)22(27)25-14-12-24(13-15-25)11-10-21(26)23-20-6-4-3-5-7-20/h3-9,16H,10-15H2,1-2H3,(H,23,26)
InChIKeyBVXUYWOJYYUSRD-UHFFFAOYSA-N
XLogP3.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
CID 110645616
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
(4-anilinopiperidin-1-yl)-(3,4-dimethylphenyl)methanone
CID 86826256
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
3-[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 61160837
tert-butyl 4-(3-anilino-3-oxopropyl)piperazine-1-carboxylate
CID 52579913
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(3,4-dimethylphenyl)methanone
CID 63394698
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154670
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866980
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
3-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 30871597

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of 3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide (CID 110422011) is 3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide is Cc1ccc(C(=O)N2CCN(CCC(=O)Nc3ccccc3)CC2)cc1C.
What is the InChIKey of 3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is BVXUYWOJYYUSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-8-9-19(16-18(17)2)22(27)25-14-12-24(13-15-25)11-10-21(26)23-20-6-4-3-5-7-20/h3-9,16H,10-15H2,1-2H3,(H,23,26).
What are the key properties of 3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide?
3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 365.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 110422011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).