2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone

C23H29N3O2 — CID 18124629

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
SMILESCc1cccc(N2CCN(C(C(=O)N3CCOCC3)c3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-19-6-5-9-21(18-19)24-10-12-25(13-11-24)22(20-7-3-2-4-8-20)23(27)26-14-16-28-17-15-26/h2-9,18,22H,10-17H2,1H3
InChIKeySHLYJLVPHSSMBO-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.72
Rot. Bonds4

About 2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone

2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone (PubChem CID 18124629) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
PubChem CID18124629
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
SMILESCc1cccc(N2CCN(C(C(=O)N3CCOCC3)c3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-19-6-5-9-21(18-19)24-10-12-25(13-11-24)22(20-7-3-2-4-8-20)23(27)26-14-16-28-17-15-26/h2-9,18,22H,10-17H2,1H3
InChIKeySHLYJLVPHSSMBO-UHFFFAOYSA-N
XLogP2.72
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-acetylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 43013060
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
1-[chloro(phenyl)methyl]-4-(3-methylphenyl)piperazine;oxalic acid
CID 160873696
N-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 55471163
3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119837563
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
[4-(3-methylphenyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133316
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 92984644
1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
CID 135224933

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone (CID 18124629) is 2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone is Cc1cccc(N2CCN(C(C(=O)N3CCOCC3)c3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is SHLYJLVPHSSMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-19-6-5-9-21(18-19)24-10-12-25(13-11-24)22(20-7-3-2-4-8-20)23(27)26-14-16-28-17-15-26/h2-9,18,22H,10-17H2,1H3.
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone?
2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 379.50 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 18124629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).