1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one

C17H24N4O3 — CID 56908485

IUPAC1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(C1CNCCN1C(=O)CCc1cccnc1)N1CCOCC1
InChIInChI=1S/C17H24N4O3/c22-16(4-3-14-2-1-5-18-12-14)21-7-6-19-13-15(21)17(23)20-8-10-24-11-9-20/h1-2,5,12,15,19H,3-4,6-11,13H2
InChIKeyKPNACUKLFLKZAR-UHFFFAOYSA-N
MW332.40 g/mol
LogP-0.33
Rot. Bonds4

About 1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 56908485) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID56908485
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(C1CNCCN1C(=O)CCc1cccnc1)N1CCOCC1
InChIInChI=1S/C17H24N4O3/c22-16(4-3-14-2-1-5-18-12-14)21-7-6-19-13-15(21)17(23)20-8-10-24-11-9-20/h1-2,5,12,15,19H,3-4,6-11,13H2
InChIKeyKPNACUKLFLKZAR-UHFFFAOYSA-N
XLogP-0.33
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 56908485) is 1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one is O=C(C1CNCCN1C(=O)CCc1cccnc1)N1CCOCC1.
What is the InChIKey of 1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is KPNACUKLFLKZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-16(4-3-14-2-1-5-18-12-14)21-7-6-19-13-15(21)17(23)20-8-10-24-11-9-20/h1-2,5,12,15,19H,3-4,6-11,13H2.
What are the key properties of 1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 332.40 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(morpholine-4-carbonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 56908485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).