(2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

C24H33N4O2+ — CID 8725307

IUPAC(2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C24H32N4O2/c1-19-5-3-4-6-23(19)28-13-11-26(12-14-28)20(2)24(29)25-21-7-9-22(10-8-21)27-15-17-30-18-16-27/h3-10,20H,11-18H2,1-2H3,(H,25,29)/p+1/t20-/m1/s1
InChIKeyCOBGIYQQGMAJPE-HXUWFJFHSA-O
MW409.55 g/mol
LogP1.56
Rot. Bonds5

About (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

(2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 8725307) has the molecular formula C24H33N4O2+ and a molecular weight of 409.55 g/mol. Its IUPAC name is (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID8725307
Molecular FormulaC24H33N4O2+
Molecular Weight409.55 g/mol
Exact Mass409.26
IUPAC Name(2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C24H32N4O2/c1-19-5-3-4-6-23(19)28-13-11-26(12-14-28)20(2)24(29)25-21-7-9-22(10-8-21)27-15-17-30-18-16-27/h3-10,20H,11-18H2,1-2H3,(H,25,29)/p+1/t20-/m1/s1
InChIKeyCOBGIYQQGMAJPE-HXUWFJFHSA-O
XLogP1.56
TPSA49.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8725347
(2S)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9267789
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 9445040
(2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 9250159
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
(2S)-N-(2,4-dichlorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide
CID 8726397
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347
(2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide
CID 8725879
(2R)-N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249376
2-methyl-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896215
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide (CID 8725307) is (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide is Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is COBGIYQQGMAJPE-HXUWFJFHSA-O. The full InChI is InChI=1S/C24H32N4O2/c1-19-5-3-4-6-23(19)28-13-11-26(12-14-28)20(2)24(29)25-21-7-9-22(10-8-21)27-15-17-30-18-16-27/h3-10,20H,11-18H2,1-2H3,(H,25,29)/p+1/t20-/m1/s1.
What are the key properties of (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
(2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 409.55 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 8725307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).