1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one

C21H38N2O2 — CID 130328606

IUPAC1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one
SMILESCCC(=O)N1CCCC(C(C)CCCC(=O)N2CCC(CC)CC2)C1
InChIInChI=1S/C21H38N2O2/c1-4-18-11-14-22(15-12-18)21(25)10-6-8-17(3)19-9-7-13-23(16-19)20(24)5-2/h17-19H,4-16H2,1-3H3
InChIKeyKZVOTYTXYLXKNB-UHFFFAOYSA-N
MW350.55 g/mol
LogP4.09
Rot. Bonds7

About 1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one

1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one (PubChem CID 130328606) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one
PubChem CID130328606
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one
SMILESCCC(=O)N1CCCC(C(C)CCCC(=O)N2CCC(CC)CC2)C1
InChIInChI=1S/C21H38N2O2/c1-4-18-11-14-22(15-12-18)21(25)10-6-8-17(3)19-9-7-13-23(16-19)20(24)5-2/h17-19H,4-16H2,1-3H3
InChIKeyKZVOTYTXYLXKNB-UHFFFAOYSA-N
XLogP4.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one (CID 130328606) is 1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one is CCC(=O)N1CCCC(C(C)CCCC(=O)N2CCC(CC)CC2)C1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one?
The InChIKey is KZVOTYTXYLXKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-4-18-11-14-22(15-12-18)21(25)10-6-8-17(3)19-9-7-13-23(16-19)20(24)5-2/h17-19H,4-16H2,1-3H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one?
1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one has a molecular weight of 350.55 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)-5-(1-propanoylpiperidin-3-yl)hexan-1-one is sourced from PubChem (CID 130328606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).