2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one

C22H25N3O3 — CID 92705446

IUPAC2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@H](C)N2Cc3ccccc3C2=O)CC1
InChIInChI=1S/C22H25N3O3/c1-16(25-15-17-7-3-4-8-18(17)22(25)27)21(26)24-13-11-23(12-14-24)19-9-5-6-10-20(19)28-2/h3-10,16H,11-15H2,1-2H3/t16-/m0/s1
InChIKeyIFWZGZBAMIDSOT-INIZCTEOSA-N
MW379.46 g/mol
LogP2.39
Rot. Bonds4

About 2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one

2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one (PubChem CID 92705446) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one
PubChem CID92705446
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@H](C)N2Cc3ccccc3C2=O)CC1
InChIInChI=1S/C22H25N3O3/c1-16(25-15-17-7-3-4-8-18(17)22(25)27)21(26)24-13-11-23(12-14-24)19-9-5-6-10-20(19)28-2/h3-10,16H,11-15H2,1-2H3/t16-/m0/s1
InChIKeyIFWZGZBAMIDSOT-INIZCTEOSA-N
XLogP2.39
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502403
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 36991296
(2S)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 22691105
2-(3-oxo-1H-isoindol-2-yl)propanoate
CID 4178065
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 92987474
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 133184610
3-amino-2-methoxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 106111168
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 17383685
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
3-(1,2-dimethylindol-3-yl)-2-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one
CID 4026457
2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110413880

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one?
The IUPAC name of 2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one (CID 92705446) is 2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one is COc1ccccc1N1CCN(C(=O)[C@H](C)N2Cc3ccccc3C2=O)CC1.
What is the InChIKey of 2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one?
The InChIKey is IFWZGZBAMIDSOT-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(25-15-17-7-3-4-8-18(17)22(25)27)21(26)24-13-11-23(12-14-24)19-9-5-6-10-20(19)28-2/h3-10,16H,11-15H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one?
2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one has a molecular weight of 379.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one is sourced from PubChem (CID 92705446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).