1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C19H35N3O2 — CID 163600748

IUPAC1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(N2CCCCC2)CC1.CC(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O.C7H13NO/c1-11(15)13-9-5-12(6-10-13)14-7-3-2-4-8-14;1-7(9)8-5-3-2-4-6-8/h12H,2-10H2,1H3;2-6H2,1H3
InChIKeyGXKRELQOYVZRLF-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.50
Rot. Bonds1

About 1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 163600748) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID163600748
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(N2CCCCC2)CC1.CC(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O.C7H13NO/c1-11(15)13-9-5-12(6-10-13)14-7-3-2-4-8-14;1-7(9)8-5-3-2-4-6-8/h12H,2-10H2,1H3;2-6H2,1H3
InChIKeyGXKRELQOYVZRLF-UHFFFAOYSA-N
XLogP2.50
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 163600748) is 1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is CC(=O)N1CCC(N2CCCCC2)CC1.CC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is GXKRELQOYVZRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C7H13NO/c1-11(15)13-9-5-12(6-10-13)14-7-3-2-4-8-14;1-7(9)8-5-3-2-4-6-8/h12H,2-10H2,1H3;2-6H2,1H3.
What are the key properties of 1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 337.51 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 163600748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).