ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone

C24H50N2O2 — CID 153349821

IUPACethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone
SMILESCC.CC.CC.CC1CCN(C2CC(C(=O)N3CCC(CCO)CC3)C2)CC1
InChIInChI=1S/C18H32N2O2.3C2H6/c1-14-2-7-19(8-3-14)17-12-16(13-17)18(22)20-9-4-15(5-10-20)6-11-21;3*1-2/h14-17,21H,2-13H2,1H3;3*1-2H3
InChIKeyCVHYOJYQPYOOET-UHFFFAOYSA-N
MW398.68 g/mol
LogP5.20
Rot. Bonds4

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

ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone (PubChem CID 153349821) has the molecular formula C24H50N2O2 and a molecular weight of 398.68 g/mol. Its IUPAC name is ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone.

Molecular Properties

Compound Nameethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone
PubChem CID153349821
Molecular FormulaC24H50N2O2
Molecular Weight398.68 g/mol
Exact Mass398.39
IUPAC Nameethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone
SMILESCC.CC.CC.CC1CCN(C2CC(C(=O)N3CCC(CCO)CC3)C2)CC1
InChIInChI=1S/C18H32N2O2.3C2H6/c1-14-2-7-19(8-3-14)17-12-16(13-17)18(22)20-9-4-15(5-10-20)6-11-21;3*1-2/h14-17,21H,2-13H2,1H3;3*1-2H3
InChIKeyCVHYOJYQPYOOET-UHFFFAOYSA-N
XLogP5.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R*,4R*)-1'-(cyclobutylcarbonyl)-4-(2-methoxyethyl)-3-methyl-1,4'-bipiperidin-4-ol
CID 72928719
N-butyl-4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-N-methylbutanamide
CID 21696021
5-[4-(2-Hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpentan-1-one
CID 70079478
6-[4-(2-Hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylhexan-1-one
CID 70080429
1-[4-(2-Hydroxyethyl)piperidin-1-yl]-5-piperidin-1-ylpentan-1-one
CID 70094131
[3-[2-[3-(Hydroxymethyl)piperidin-1-yl]butyl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 126684578
[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
Cyclobutyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 155721174
Ethane;[4-(2-methoxyethyl)piperidin-1-yl]-[3-(4-propylpiperidin-1-yl)cyclobutyl]methanone
CID 156719927
1-Tert-butyl-6-hydroxy-4,4-dimethylpiperidin-2-one;6-hydroxy-4,4-dimethyl-1-(2-methylpropyl)piperidin-2-one
CID 161518420
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-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone?
The IUPAC name of ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone (CID 153349821) is ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone.
What is the SMILES notation for ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone?
The canonical SMILES for ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone is CC.CC.CC.CC1CCN(C2CC(C(=O)N3CCC(CCO)CC3)C2)CC1.
What is the InChIKey of ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone?
The InChIKey is CVHYOJYQPYOOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2.3C2H6/c1-14-2-7-19(8-3-14)17-12-16(13-17)18(22)20-9-4-15(5-10-20)6-11-21;3*1-2/h14-17,21H,2-13H2,1H3;3*1-2H3.
What are the key properties of ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone?
ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone has a molecular weight of 398.68 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(4-methylpiperidin-1-yl)cyclobutyl]methanone is sourced from PubChem (CID 153349821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).