(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide

C24H33N3O — CID 9266285

IUPAC(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cccc(CN2CCN([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)c1
InChIInChI=1S/C24H33N3O/c1-17-7-6-8-22(15-17)16-26-9-11-27(12-10-26)21(5)24(28)25-23-19(3)13-18(2)14-20(23)4/h6-8,13-15,21H,9-12,16H2,1-5H3,(H,25,28)/t21-/m1/s1
InChIKeyJQKMVWSGOQOONC-OAQYLSRUSA-N
MW379.55 g/mol
LogP4.07
Rot. Bonds5

About (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide

(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 9266285) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID9266285
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cccc(CN2CCN([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)c1
InChIInChI=1S/C24H33N3O/c1-17-7-6-8-22(15-17)16-26-9-11-27(12-10-26)21(5)24(28)25-23-19(3)13-18(2)14-20(23)4/h6-8,13-15,21H,9-12,16H2,1-5H3,(H,25,28)/t21-/m1/s1
InChIKeyJQKMVWSGOQOONC-OAQYLSRUSA-N
XLogP4.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266337
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266339
(2S)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9257224
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84822086
(2R)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8720823
(2R)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266116
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9275187
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34892541
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266134

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (CID 9266285) is (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide is Cc1cccc(CN2CCN([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)c1.
What is the InChIKey of (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is JQKMVWSGOQOONC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H33N3O/c1-17-7-6-8-22(15-17)16-26-9-11-27(12-10-26)21(5)24(28)25-23-19(3)13-18(2)14-20(23)4/h6-8,13-15,21H,9-12,16H2,1-5H3,(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 379.55 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 9266285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).