(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide

C22H34N4O3 — CID 8774722

IUPAC(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C22H34N4O3/c1-16-13-17(2)21(18(3)14-16)23-22(28)19(4)25-7-5-24(6-8-25)15-20(27)26-9-11-29-12-10-26/h13-14,19H,5-12,15H2,1-4H3,(H,23,28)/t19-/m1/s1
InChIKeyUEFOODGUEJBYBZ-LJQANCHMSA-N
MW402.54 g/mol
LogP1.42
Rot. Bonds5

About (2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide

(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 8774722) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is (2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID8774722
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C22H34N4O3/c1-16-13-17(2)21(18(3)14-16)23-22(28)19(4)25-7-5-24(6-8-25)15-20(27)26-9-11-29-12-10-26/h13-14,19H,5-12,15H2,1-4H3,(H,23,28)/t19-/m1/s1
InChIKeyUEFOODGUEJBYBZ-LJQANCHMSA-N
XLogP1.42
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 86923497
(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 8774686
N-cyclopentyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 128951171
(2S)-N-(4-bromo-2-fluorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 30735387
(2S)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9257224
N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide
CID 86984071
(2R)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8720823
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84822086
N-(2,5-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 45281660
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9266285
2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 82342693
N-(2,6-dibromo-4-methylphenyl)-2-morpholin-4-ylpropanamide
CID 5094614

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (CID 8774722) is (2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCOCC3)CC2)c(C)c1.
What is the InChIKey of (2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is UEFOODGUEJBYBZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-16-13-17(2)21(18(3)14-16)23-22(28)19(4)25-7-5-24(6-8-25)15-20(27)26-9-11-29-12-10-26/h13-14,19H,5-12,15H2,1-4H3,(H,23,28)/t19-/m1/s1.
What are the key properties of (2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 402.54 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 8774722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).