1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone

C23H36N2O2 — CID 129376940

IUPAC1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone
SMILESCc1cccc(N2CCN(C(=O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)CC2)c1
InChIInChI=1S/C23H36N2O2/c1-17(2)21-9-8-19(4)15-22(21)27-16-23(26)25-12-10-24(11-13-25)20-7-5-6-18(3)14-20/h5-7,14,17,19,21-22H,8-13,15-16H2,1-4H3/t19-,21-,22+/m0/s1
InChIKeySYMKOGDMUADEFZ-ILWGZMRPSA-N
MW372.55 g/mol
LogP4.12
Rot. Bonds5

About 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone

1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone (PubChem CID 129376940) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone
PubChem CID129376940
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone
SMILESCc1cccc(N2CCN(C(=O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)CC2)c1
InChIInChI=1S/C23H36N2O2/c1-17(2)21-9-8-19(4)15-22(21)27-16-23(26)25-12-10-24(11-13-25)20-7-5-6-18(3)14-20/h5-7,14,17,19,21-22H,8-13,15-16H2,1-4H3/t19-,21-,22+/m0/s1
InChIKeySYMKOGDMUADEFZ-ILWGZMRPSA-N
XLogP4.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone with MolForge

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
CID 3665847
2-(3-methylbutylamino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004007
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(thian-4-yl)ethanone
CID 110854215
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108520633
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 109004012
(2S)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 124721500
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120422
2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110756055

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone?
The IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone (CID 129376940) is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone.
What is the SMILES notation for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone?
The canonical SMILES for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone is Cc1cccc(N2CCN(C(=O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone?
The InChIKey is SYMKOGDMUADEFZ-ILWGZMRPSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-17(2)21-9-8-19(4)15-22(21)27-16-23(26)25-12-10-24(11-13-25)20-7-5-6-18(3)14-20/h5-7,14,17,19,21-22H,8-13,15-16H2,1-4H3/t19-,21-,22+/m0/s1.
What are the key properties of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone?
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone has a molecular weight of 372.55 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone is sourced from PubChem (CID 129376940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).