2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C21H32N4O3 — CID 78821861

IUPAC2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1C
InChIInChI=1S/C21H32N4O3/c1-3-23(19-7-5-4-6-18(19)2)17-21(27)24-10-8-22(9-11-24)16-20(26)25-12-14-28-15-13-25/h4-7H,3,8-17H2,1-2H3
InChIKeyXZNBMRWONVPLCA-UHFFFAOYSA-N
MW388.51 g/mol
LogP0.82
Rot. Bonds6

About 2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 78821861) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID78821861
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1C
InChIInChI=1S/C21H32N4O3/c1-3-23(19-7-5-4-6-18(19)2)17-21(27)24-10-8-22(9-11-24)16-20(26)25-12-14-28-15-13-25/h4-7H,3,8-17H2,1-2H3
InChIKeyXZNBMRWONVPLCA-UHFFFAOYSA-N
XLogP0.82
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone
CID 71047340
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 1439327
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688048
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
N-methyl-N-(2-methylphenyl)morpholine-4-carboxamide
CID 116655392
N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 112811168
2-(2-methylphenyl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073706
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone
CID 93194137
2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120594799
2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 17441973

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 78821861) is 2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone is CCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1C.
What is the InChIKey of 2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is XZNBMRWONVPLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-3-23(19-7-5-4-6-18(19)2)17-21(27)24-10-8-22(9-11-24)16-20(26)25-12-14-28-15-13-25/h4-7H,3,8-17H2,1-2H3.
What are the key properties of 2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 388.51 g/mol, XLogP of 0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 78821861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).