2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone

C24H29N3O3 — CID 43013060

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
SMILESCC(=O)c1ccc(N2CCN(C(C(=O)N3CCOCC3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N3O3/c1-19(28)20-7-9-22(10-8-20)25-11-13-26(14-12-25)23(21-5-3-2-4-6-21)24(29)27-15-17-30-18-16-27/h2-10,23H,11-18H2,1H3
InChIKeyNQGADNNSUZNDGH-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.61
Rot. Bonds5

About 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone

2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone (PubChem CID 43013060) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
PubChem CID43013060
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
SMILESCC(=O)c1ccc(N2CCN(C(C(=O)N3CCOCC3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N3O3/c1-19(28)20-7-9-22(10-8-20)25-11-13-26(14-12-25)23(21-5-3-2-4-6-21)24(29)27-15-17-30-18-16-27/h2-10,23H,11-18H2,1H3
InChIKeyNQGADNNSUZNDGH-UHFFFAOYSA-N
XLogP2.61
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 18124629
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
CID 9029338
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 55351073
1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
CID 135224933
(2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylpropan-1-one
CID 2574183
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 55412944
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone
CID 25336879
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone (CID 43013060) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone is CC(=O)c1ccc(N2CCN(C(C(=O)N3CCOCC3)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is NQGADNNSUZNDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-19(28)20-7-9-22(10-8-20)25-11-13-26(14-12-25)23(21-5-3-2-4-6-21)24(29)27-15-17-30-18-16-27/h2-10,23H,11-18H2,1H3.
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone?
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 407.51 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 43013060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).