1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone

C25H31N3O4 — CID 129454849

IUPAC1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(OCCN3CCOCC3)c2)C[C@@H]1c1ccccc1
InChIInChI=1S/C25H31N3O4/c1-20(29)28-11-10-27(19-24(28)21-6-3-2-4-7-21)25(30)22-8-5-9-23(18-22)32-17-14-26-12-15-31-16-13-26/h2-9,18,24H,10-17,19H2,1H3/t24-/m1/s1
InChIKeyGHGCKNIVDURWOK-XMMPIXPASA-N
MW437.54 g/mol
LogP2.44
Rot. Bonds6

About 1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone

1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone (PubChem CID 129454849) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone
PubChem CID129454849
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(OCCN3CCOCC3)c2)C[C@@H]1c1ccccc1
InChIInChI=1S/C25H31N3O4/c1-20(29)28-11-10-27(19-24(28)21-6-3-2-4-7-21)25(30)22-8-5-9-23(18-22)32-17-14-26-12-15-31-16-13-26/h2-9,18,24H,10-17,19H2,1H3/t24-/m1/s1
InChIKeyGHGCKNIVDURWOK-XMMPIXPASA-N
XLogP2.44
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(4-methoxyphenyl)-4-[2-(2-morpholin-4-ylethoxy)benzoyl]piperazin-1-yl]ethanone
CID 129455963
1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 125002392
1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 124991694
4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide
CID 110151192
[6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 132773225
1-[(2R)-4-[3-[(3-fluorophenyl)methoxy]benzoyl]-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124975618
(NE)-N-[1-[3-(2-morpholin-4-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 43186630
[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 110638188
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
[(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 124975681
[6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 110150622
3-[2-(6-cyclobutyl-1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 136550798

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone (CID 129454849) is 1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cccc(OCCN3CCOCC3)c2)C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone?
The InChIKey is GHGCKNIVDURWOK-XMMPIXPASA-N. The full InChI is InChI=1S/C25H31N3O4/c1-20(29)28-11-10-27(19-24(28)21-6-3-2-4-7-21)25(30)22-8-5-9-23(18-22)32-17-14-26-12-15-31-16-13-26/h2-9,18,24H,10-17,19H2,1H3/t24-/m1/s1.
What are the key properties of 1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone?
1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone has a molecular weight of 437.54 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 129454849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).