3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide

C16H24N4O3 — CID 53161543

IUPAC3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide
SMILESCOCCC(=O)NC(C)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H24N4O3/c1-13(18-15(21)6-12-23-2)16(22)20-10-8-19(9-11-20)14-5-3-4-7-17-14/h3-5,7,13H,6,8-12H2,1-2H3,(H,18,21)
InChIKeyZRMASRBEAXFBFI-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.27
Rot. Bonds6

About 3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide

3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide (PubChem CID 53161543) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide
PubChem CID53161543
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide
SMILESCOCCC(=O)NC(C)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H24N4O3/c1-13(18-15(21)6-12-23-2)16(22)20-10-8-19(9-11-20)14-5-3-4-7-17-14/h3-5,7,13H,6,8-12H2,1-2H3,(H,18,21)
InChIKeyZRMASRBEAXFBFI-UHFFFAOYSA-N
XLogP0.27
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide?
The IUPAC name of 3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide (CID 53161543) is 3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide is COCCC(=O)NC(C)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide?
The InChIKey is ZRMASRBEAXFBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-13(18-15(21)6-12-23-2)16(22)20-10-8-19(9-11-20)14-5-3-4-7-17-14/h3-5,7,13H,6,8-12H2,1-2H3,(H,18,21).
What are the key properties of 3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide?
3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide has a molecular weight of 320.39 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 53161543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).