(2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

C21H27N3O2S — CID 30955979

IUPAC(2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C([C@H](c1ccccc1)N1CCN(Cc2ccsc2)CC1)N1CCOCC1
InChIInChI=1S/C21H27N3O2S/c25-21(24-11-13-26-14-12-24)20(19-4-2-1-3-5-19)23-9-7-22(8-10-23)16-18-6-15-27-17-18/h1-6,15,17,20H,7-14,16H2/t20-/m0/s1
InChIKeyVYLXQWWYVGSJNU-FQEVSTJZSA-N
MW385.53 g/mol
LogP2.47
Rot. Bonds5

About (2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

(2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 30955979) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID30955979
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name(2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C([C@H](c1ccccc1)N1CCN(Cc2ccsc2)CC1)N1CCOCC1
InChIInChI=1S/C21H27N3O2S/c25-21(24-11-13-26-14-12-24)20(19-4-2-1-3-5-19)23-9-7-22(8-10-23)16-18-6-15-27-17-18/h1-6,15,17,20H,7-14,16H2/t20-/m0/s1
InChIKeyVYLXQWWYVGSJNU-FQEVSTJZSA-N
XLogP2.47
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 55412944
1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
CID 135224933
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
2-(4-pyrazol-1-ylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetic acid
CID 72855293
(2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 30624445
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 43013060
[2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 110268314
2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 18124629
2,2,3,3-tetrafluoro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 103732222
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 45356192

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of (2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (CID 30955979) is (2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is O=C([C@H](c1ccccc1)N1CCN(Cc2ccsc2)CC1)N1CCOCC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is VYLXQWWYVGSJNU-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N3O2S/c25-21(24-11-13-26-14-12-24)20(19-4-2-1-3-5-19)23-9-7-22(8-10-23)16-18-6-15-27-17-18/h1-6,15,17,20H,7-14,16H2/t20-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
(2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 385.53 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 30955979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).