(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide

C22H29N3O — CID 9275187

IUPAC(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H29N3O/c1-17-9-10-21(18(2)15-17)23-22(26)19(3)25-13-11-24(12-14-25)16-20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyNVUJTFZYPNWJGV-LJQANCHMSA-N
MW351.49 g/mol
LogP3.45
Rot. Bonds5

About (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide

(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 9275187) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
PubChem CID9275187
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H29N3O/c1-17-9-10-21(18(2)15-17)23-22(26)19(3)25-13-11-24(12-14-25)16-20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyNVUJTFZYPNWJGV-LJQANCHMSA-N
XLogP3.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
CID 51334142
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9266285
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690189
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-methylphenyl)propanamide
CID 55506004
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 9265096
(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431689
ethyl 4-[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431101
2-(4-benzylpiperazin-1-yl)propanehydrazide
CID 63569395
(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide (CID 9275187) is (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccccc3)CC2)c(C)c1.
What is the InChIKey of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is NVUJTFZYPNWJGV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17-9-10-21(18(2)15-17)23-22(26)19(3)25-13-11-24(12-14-25)16-20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide?
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 9275187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).