1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one

C23H34N2O4 — CID 108534071

IUPAC1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one
SMILESCCOc1ccc(CCC(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1OC
InChIInChI=1S/C23H34N2O4/c1-3-29-20-11-9-18(17-21(20)28-2)10-12-22(26)24-13-15-25(16-14-24)23(27)19-7-5-4-6-8-19/h9,11,17,19H,3-8,10,12-16H2,1-2H3
InChIKeyMUPIHERQPOAXAT-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.28
Rot. Bonds7

About 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one (PubChem CID 108534071) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one
PubChem CID108534071
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one
SMILESCCOc1ccc(CCC(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1OC
InChIInChI=1S/C23H34N2O4/c1-3-29-20-11-9-18(17-21(20)28-2)10-12-22(26)24-13-15-25(16-14-24)23(27)19-7-5-4-6-8-19/h9,11,17,19H,3-8,10,12-16H2,1-2H3
InChIKeyMUPIHERQPOAXAT-UHFFFAOYSA-N
XLogP3.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one with MolForge

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Related Compounds

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 108534070
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 110801591
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 110803723
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 110806425
3-(3-bromo-4-methoxyphenyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 55574208
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108556122
3-(4-ethoxy-3-methoxyphenyl)-1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547719
ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542
3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea
CID 108566557
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558860
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108534050

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one (CID 108534071) is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one is CCOc1ccc(CCC(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1OC.
What is the InChIKey of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one?
The InChIKey is MUPIHERQPOAXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-3-29-20-11-9-18(17-21(20)28-2)10-12-22(26)24-13-15-25(16-14-24)23(27)19-7-5-4-6-8-19/h9,11,17,19H,3-8,10,12-16H2,1-2H3.
What are the key properties of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one?
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one has a molecular weight of 402.54 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 108534071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).