1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one

C20H36N2O4 — CID 169159522

IUPAC1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one
SMILESCOCCOCCC(=O)N1CCN(C2CCC(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C20H36N2O4/c1-16(2)20(24)17-4-6-18(7-5-17)21-9-11-22(12-10-21)19(23)8-13-26-15-14-25-3/h16-18H,4-15H2,1-3H3
InChIKeyFCHCYKXUDLEZNP-UHFFFAOYSA-N
MW368.52 g/mol
LogP1.97
Rot. Bonds9

About 1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one

1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one (PubChem CID 169159522) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one
PubChem CID169159522
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one
SMILESCOCCOCCC(=O)N1CCN(C2CCC(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C20H36N2O4/c1-16(2)20(24)17-4-6-18(7-5-17)21-9-11-22(12-10-21)19(23)8-13-26-15-14-25-3/h16-18H,4-15H2,1-3H3
InChIKeyFCHCYKXUDLEZNP-UHFFFAOYSA-N
XLogP1.97
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[4-[4-[3-(2-propoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]propan-1-one
CID 167464701
2-methyl-1-[4-[4-[2-(2-methylsulfanyloxyethoxy)ethyl]piperazin-1-yl]cyclohexyl]propan-1-one
CID 177358485
3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one
CID 163402844
3-[3-(2-methoxyethoxy)propoxy]-1-piperazin-1-ylpropan-1-one
CID 103402655
2-(2-methoxyethylamino)-1-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119896929
4-methyl-1-[2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 178062981
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 170230954
1-[3-[2-(2-methoxyethoxy)ethyl]-3-azaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one
CID 177357297
4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
CID 4742011
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
methyl 2-[[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]amino]-2-oxoacetate
CID 113098020

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one (CID 169159522) is 1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one is COCCOCCC(=O)N1CCN(C2CCC(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one?
The InChIKey is FCHCYKXUDLEZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-16(2)20(24)17-4-6-18(7-5-17)21-9-11-22(12-10-21)19(23)8-13-26-15-14-25-3/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one?
1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one has a molecular weight of 368.52 g/mol, XLogP of 1.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(2-methoxyethoxy)propanoyl]piperazin-1-yl]cyclohexyl]-2-methylpropan-1-one is sourced from PubChem (CID 169159522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).