2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one

C17H33N3O — CID 63854633

IUPAC2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCCNC(C)C1CCCN(C(C)C(=O)N2CCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-4-18-14(2)16-9-8-12-20(13-16)15(3)17(21)19-10-6-5-7-11-19/h14-16,18H,4-13H2,1-3H3
InChIKeyYDKYFPMTJCHRGM-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.10
Rot. Bonds5

About 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one

2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 63854633) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID63854633
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCCNC(C)C1CCCN(C(C)C(=O)N2CCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-4-18-14(2)16-9-8-12-20(13-16)15(3)17(21)19-10-6-5-7-11-19/h14-16,18H,4-13H2,1-3H3
InChIKeyYDKYFPMTJCHRGM-UHFFFAOYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 63854633) is 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one is CCNC(C)C1CCCN(C(C)C(=O)N2CCCCC2)C1.
What is the InChIKey of 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is YDKYFPMTJCHRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-18-14(2)16-9-8-12-20(13-16)15(3)17(21)19-10-6-5-7-11-19/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 295.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 63854633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).