3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide

C21H25N3O2 — CID 110645616

IUPAC3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
SMILESCc1ccccc1C(=O)N1CCN(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-17-7-5-6-10-19(17)21(26)24-15-13-23(14-16-24)12-11-20(25)22-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,22,25)
InChIKeyBEMLQESEQFIFEX-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.78
Rot. Bonds5

About 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide

3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide (PubChem CID 110645616) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
PubChem CID110645616
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
SMILESCc1ccccc1C(=O)N1CCN(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-17-7-5-6-10-19(17)21(26)24-15-13-23(14-16-24)12-11-20(25)22-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,22,25)
InChIKeyBEMLQESEQFIFEX-UHFFFAOYSA-N
XLogP2.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
CID 110422011
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
[4-(2-bromoethyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 80660248
[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 82090858
tert-butyl 4-(3-anilino-3-oxopropyl)piperazine-1-carboxylate
CID 52579913
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide
CID 110422037
1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one
CID 82132828
2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide (CID 110645616) is 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide is Cc1ccccc1C(=O)N1CCN(CCC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is BEMLQESEQFIFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-17-7-5-6-10-19(17)21(26)24-15-13-23(14-16-24)12-11-20(25)22-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,22,25).
What are the key properties of 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide?
3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 110645616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).