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

C26H54N2O2 — CID 168901317

IUPACethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCC.CC.CC.CCC1CCN(C2CC(C(=O)N3CCC(CCOC)CC3)C2)CC1
InChIInChI=1S/C20H36N2O2.3C2H6/c1-3-16-4-9-21(10-5-16)19-14-18(15-19)20(23)22-11-6-17(7-12-22)8-13-24-2;3*1-2/h16-19H,3-15H2,1-2H3;3*1-2H3
InChIKeyHHMDNVKBCOEPQW-UHFFFAOYSA-N
MW426.73 g/mol
LogP6.24
Rot. Bonds6

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

ethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 168901317) has the molecular formula C26H54N2O2 and a molecular weight of 426.73 g/mol. Its IUPAC name is ethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID168901317
Molecular FormulaC26H54N2O2
Molecular Weight426.73 g/mol
Exact Mass426.42
IUPAC Nameethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCC.CC.CC.CCC1CCN(C2CC(C(=O)N3CCC(CCOC)CC3)C2)CC1
InChIInChI=1S/C20H36N2O2.3C2H6/c1-3-16-4-9-21(10-5-16)19-14-18(15-19)20(23)22-11-6-17(7-12-22)8-13-24-2;3*1-2/h16-19H,3-15H2,1-2H3;3*1-2H3
InChIKeyHHMDNVKBCOEPQW-UHFFFAOYSA-N
XLogP6.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.73
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone with MolForge

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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-(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-(2-Ethoxyethyl)piperazin-1-yl]cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 155068148
Ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone
CID 156719927
1-[3-(Propan-2-yloxymethyl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 172511180

Frequently Asked Questions

What is the IUPAC name of ethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of ethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone (CID 168901317) is ethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for ethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for ethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone is CC.CC.CC.CCC1CCN(C2CC(C(=O)N3CCC(CCOC)CC3)C2)CC1.
What is the InChIKey of ethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is HHMDNVKBCOEPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2.3C2H6/c1-3-16-4-9-21(10-5-16)19-14-18(15-19)20(23)22-11-6-17(7-12-22)8-13-24-2;3*1-2/h16-19H,3-15H2,1-2H3;3*1-2H3.
What are the key properties of ethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
ethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 426.73 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-(4-ethylpiperidin-1-yl)cyclobutyl]-[4-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 168901317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).