ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone

C23H44N2O2 — CID 156719927

IUPACethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone
SMILESCC.CCCC1CCN(C2CC(C(=O)N3CCC(CCOC)CC3)C2)CC1
InChIInChI=1S/C21H38N2O2.C2H6/c1-3-4-17-5-10-22(11-6-17)20-15-19(16-20)21(24)23-12-7-18(8-13-23)9-14-25-2;1-2/h17-20H,3-16H2,1-2H3;1-2H3
InChIKeyLXXCKMDLODSLNI-UHFFFAOYSA-N
MW380.62 g/mol
LogP4.58
Rot. Bonds7

About ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone

ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone (PubChem CID 156719927) has the molecular formula C23H44N2O2 and a molecular weight of 380.62 g/mol. Its IUPAC name is ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone.

Molecular Properties

Compound Nameethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone
PubChem CID156719927
Molecular FormulaC23H44N2O2
Molecular Weight380.62 g/mol
Exact Mass380.34
IUPAC Nameethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone
SMILESCC.CCCC1CCN(C2CC(C(=O)N3CCC(CCOC)CC3)C2)CC1
InChIInChI=1S/C21H38N2O2.C2H6/c1-3-4-17-5-10-22(11-6-17)20-15-19(16-20)21(24)23-12-7-18(8-13-23)9-14-25-2;1-2/h17-20H,3-16H2,1-2H3;1-2H3
InChIKeyLXXCKMDLODSLNI-UHFFFAOYSA-N
XLogP4.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.62
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-{[4-(2-Methoxyethyl)piperidino]carbonyl}piperidino)-1-ethanone
CID 53150902
2-(1-Acetylpiperidin-4-YL)-1-[4-(2-methoxyethyl)piperidin-1-YL]ethan-1-one
CID 53150917
1-(4-{[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]carbonyl}piperidino)-1-ethanone
CID 91922193
5-Methoxy-2-methyl-1-(3-piperidin-1-ylpiperidin-1-yl)pentan-1-one
CID 84597162
[3-[[4-(3,3-Dimethylbutan-2-yl)piperidin-1-yl]methyl]cyclobutyl]-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]methanone
CID 139545757
[3-[4-(2,2-Dimethylpropyl)piperidin-1-yl]cyclobutyl]-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]methanone
CID 139546256
[4-(2-Methoxyethyl)piperidin-1-yl]-[3-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methanone
CID 139576900
[3-(4-Ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 139576913
[3-(4-Ethylpiperidin-1-yl)cyclobutyl]-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]methanone
CID 146340015
Ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone
CID 153349821
[3-[[4-(3,3-Dimethylbutan-2-yl)piperidin-1-yl]methyl]cyclobutyl]-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone
CID 156242195
Ethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 168901317

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone?
The IUPAC name of ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone (CID 156719927) is ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone.
What is the SMILES notation for ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone?
The canonical SMILES for ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone is CC.CCCC1CCN(C2CC(C(=O)N3CCC(CCOC)CC3)C2)CC1.
What is the InChIKey of ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone?
The InChIKey is LXXCKMDLODSLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2.C2H6/c1-3-4-17-5-10-22(11-6-17)20-15-19(16-20)21(24)23-12-7-18(8-13-23)9-14-25-2;1-2/h17-20H,3-16H2,1-2H3;1-2H3.
What are the key properties of ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone?
ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone has a molecular weight of 380.62 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone is sourced from PubChem (CID 156719927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).