1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone

C23H40N2O3 — CID 140851992

IUPAC1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
SMILESCC1CCC(C(C)C)C(OCC(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C23H40N2O3/c1-17(2)20-10-9-18(3)15-21(20)28-16-22(26)24-11-13-25(14-12-24)23(27)19-7-5-4-6-8-19/h17-21H,4-16H2,1-3H3
InChIKeyPULKXTMSFBDPDG-UHFFFAOYSA-N
MW392.58 g/mol
LogP3.71
Rot. Bonds5

About 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone (PubChem CID 140851992) has the molecular formula C23H40N2O3 and a molecular weight of 392.58 g/mol. Its IUPAC name is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
PubChem CID140851992
Molecular FormulaC23H40N2O3
Molecular Weight392.58 g/mol
Exact Mass392.30
IUPAC Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
SMILESCC1CCC(C(C)C)C(OCC(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C23H40N2O3/c1-17(2)20-10-9-18(3)15-21(20)28-16-22(26)24-11-13-25(14-12-24)23(27)19-7-5-4-6-8-19/h17-21H,4-16H2,1-3H3
InChIKeyPULKXTMSFBDPDG-UHFFFAOYSA-N
XLogP3.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.58
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone with MolForge

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Related Compounds

1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone
CID 129376940
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
CID 23050655
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
[(1R,2S)-2-hydroxycyclohexyl] 2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 92643363
(5-methyl-2-propan-2-ylcyclohexyl)-piperidin-1-ylmethanone
CID 70597655
2-fluoro-6-[4-[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]piperazin-1-yl]benzonitrile
CID 33281652
(5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate
CID 3092154
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
1-[2-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]-1,4-diazepan-1-yl]pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 73350727

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone?
The IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone (CID 140851992) is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone?
The canonical SMILES for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone is CC1CCC(C(C)C)C(OCC(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1.
What is the InChIKey of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone?
The InChIKey is PULKXTMSFBDPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O3/c1-17(2)20-10-9-18(3)15-21(20)28-16-22(26)24-11-13-25(14-12-24)23(27)19-7-5-4-6-8-19/h17-21H,4-16H2,1-3H3.
What are the key properties of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone?
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone has a molecular weight of 392.58 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone is sourced from PubChem (CID 140851992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).