ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane

C23H42N4O — CID 169148598

IUPACethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane
SMILESC.CC.CCNC1(C)CCCN(C2CCN(c3ccc(C(C)=O)nc3)CC2)C1
InChIInChI=1S/C20H32N4O.C2H6.CH4/c1-4-22-20(3)10-5-11-24(15-20)17-8-12-23(13-9-17)18-6-7-19(16(2)25)21-14-18;1-2;/h6-7,14,17,22H,4-5,8-13,15H2,1-3H3;1-2H3;1H4
InChIKeyVCJRJZVTSFXUOB-UHFFFAOYSA-N
MW390.62 g/mol
LogP4.38
Rot. Bonds5

About ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane

ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane (PubChem CID 169148598) has the molecular formula C23H42N4O and a molecular weight of 390.62 g/mol. Its IUPAC name is ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane.

Molecular Properties

Compound Nameethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane
PubChem CID169148598
Molecular FormulaC23H42N4O
Molecular Weight390.62 g/mol
Exact Mass390.34
IUPAC Nameethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane
SMILESC.CC.CCNC1(C)CCCN(C2CCN(c3ccc(C(C)=O)nc3)CC2)C1
InChIInChI=1S/C20H32N4O.C2H6.CH4/c1-4-22-20(3)10-5-11-24(15-20)17-8-12-23(13-9-17)18-6-7-19(16(2)25)21-14-18;1-2;/h6-7,14,17,22H,4-5,8-13,15H2,1-3H3;1-2H3;1H4
InChIKeyVCJRJZVTSFXUOB-UHFFFAOYSA-N
XLogP4.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane with MolForge

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Related Compounds

5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748291
N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736440
5-[4-(3-tert-butyl-3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748323
1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
CID 83118890
1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone
CID 83118736
1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone
CID 83119164
1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone
CID 102958776
5-[4-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206
1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate
CID 142998015
5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 113321639

Frequently Asked Questions

What is the IUPAC name of ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane?
The IUPAC name of ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane (CID 169148598) is ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane.
What is the SMILES notation for ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane?
The canonical SMILES for ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane is C.CC.CCNC1(C)CCCN(C2CCN(c3ccc(C(C)=O)nc3)CC2)C1.
What is the InChIKey of ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane?
The InChIKey is VCJRJZVTSFXUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.C2H6.CH4/c1-4-22-20(3)10-5-11-24(15-20)17-8-12-23(13-9-17)18-6-7-19(16(2)25)21-14-18;1-2;/h6-7,14,17,22H,4-5,8-13,15H2,1-3H3;1-2H3;1H4.
What are the key properties of ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane?
ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane has a molecular weight of 390.62 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[5-[4-[3-(ethylamino)-3-methylpiperidin-1-yl]piperidin-1-yl]-2-pyridinyl]ethanone;methane is sourced from PubChem (CID 169148598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).