1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one

C19H34N2O2 — CID 90441072

IUPAC1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
SMILESCCC(=O)CN1CCC(CC2CCN(CC(=O)CC)CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-3-18(22)14-20-9-5-16(6-10-20)13-17-7-11-21(12-8-17)15-19(23)4-2/h16-17H,3-15H2,1-2H3
InChIKeyKLEVAFSPFFLETK-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.76
Rot. Bonds8

About 1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one

1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one (PubChem CID 90441072) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
PubChem CID90441072
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
SMILESCCC(=O)CN1CCC(CC2CCN(CC(=O)CC)CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-3-18(22)14-20-9-5-16(6-10-20)13-17-7-11-21(12-8-17)15-19(23)4-2/h16-17H,3-15H2,1-2H3
InChIKeyKLEVAFSPFFLETK-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one?
The IUPAC name of 1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one (CID 90441072) is 1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one.
What is the SMILES notation for 1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one?
The canonical SMILES for 1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one is CCC(=O)CN1CCC(CC2CCN(CC(=O)CC)CC2)CC1.
What is the InChIKey of 1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one?
The InChIKey is KLEVAFSPFFLETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-3-18(22)14-20-9-5-16(6-10-20)13-17-7-11-21(12-8-17)15-19(23)4-2/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one?
1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one has a molecular weight of 322.49 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(2-oxobutyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one is sourced from PubChem (CID 90441072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).