1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one

C18H33N3O2 — CID 119894294

IUPAC1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CCC(CN2CCOCC2)C1)C1CCCNC1
InChIInChI=1S/C18H33N3O2/c1-15(17-3-2-5-19-12-17)11-18(22)21-6-4-16(14-21)13-20-7-9-23-10-8-20/h15-17,19H,2-14H2,1H3
InChIKeyJJKDYQSHFDLSLA-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.19
Rot. Bonds5

About 1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one

1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one (PubChem CID 119894294) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
PubChem CID119894294
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
SMILESCC(CC(=O)N1CCC(CN2CCOCC2)C1)C1CCCNC1
InChIInChI=1S/C18H33N3O2/c1-15(17-3-2-5-19-12-17)11-18(22)21-6-4-16(14-21)13-20-7-9-23-10-8-20/h15-17,19H,2-14H2,1H3
InChIKeyJJKDYQSHFDLSLA-UHFFFAOYSA-N
XLogP1.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one (CID 119894294) is 1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one is CC(CC(=O)N1CCC(CN2CCOCC2)C1)C1CCCNC1.
What is the InChIKey of 1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one?
The InChIKey is JJKDYQSHFDLSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-15(17-3-2-5-19-12-17)11-18(22)21-6-4-16(14-21)13-20-7-9-23-10-8-20/h15-17,19H,2-14H2,1H3.
What are the key properties of 1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one?
1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one has a molecular weight of 323.48 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 119894294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).