ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone

C19H38N2O — CID 176984732

IUPACethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC.CCC1CCN(C(=O)CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O.C2H6/c1-4-15-5-11-19(12-6-15)17(20)13-16-7-9-18(10-8-16)14(2)3;1-2/h14-16H,4-13H2,1-3H3;1-2H3
InChIKeyCGUQXFXUUXOBMV-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.17
Rot. Bonds4

About ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone

ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 176984732) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
PubChem CID176984732
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Nameethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC.CCC1CCN(C(=O)CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O.C2H6/c1-4-15-5-11-19(12-6-15)17(20)13-16-7-9-18(10-8-16)14(2)3;1-2/h14-16H,4-13H2,1-3H3;1-2H3
InChIKeyCGUQXFXUUXOBMV-UHFFFAOYSA-N
XLogP4.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010419
2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone
CID 176983354
ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone
CID 176985365
(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone
CID 167480439
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72896818
(4-ethylpiperidin-1-yl)-(1-propan-2-ylazetidin-3-yl)methanone
CID 171093987
2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone
CID 155880003
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 176984404
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone
CID 177123002
2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone
CID 176984953

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone (CID 176984732) is ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone is CC.CCC1CCN(C(=O)CC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The InChIKey is CGUQXFXUUXOBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.C2H6/c1-4-15-5-11-19(12-6-15)17(20)13-16-7-9-18(10-8-16)14(2)3;1-2/h14-16H,4-13H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 310.53 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 176984732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).