5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one

C17H26N4O3 — CID 53202212

IUPAC5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCOCC3)CC2)cc1=O
InChIInChI=1S/C17H26N4O3/c1-2-5-21-16(22)12-15(13-18-21)19-6-3-14(4-7-19)17(23)20-8-10-24-11-9-20/h12-14H,2-11H2,1H3
InChIKeyQOFRADPCCJWEGW-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.73
Rot. Bonds4

About 5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one

5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one (PubChem CID 53202212) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
PubChem CID53202212
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCOCC3)CC2)cc1=O
InChIInChI=1S/C17H26N4O3/c1-2-5-21-16(22)12-15(13-18-21)19-6-3-14(4-7-19)17(23)20-8-10-24-11-9-20/h12-14H,2-11H2,1H3
InChIKeyQOFRADPCCJWEGW-UHFFFAOYSA-N
XLogP0.73
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The IUPAC name of 5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one (CID 53202212) is 5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The canonical SMILES for 5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one is CCCn1ncc(N2CCC(C(=O)N3CCOCC3)CC2)cc1=O.
What is the InChIKey of 5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The InChIKey is QOFRADPCCJWEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-5-21-16(22)12-15(13-18-21)19-6-3-14(4-7-19)17(23)20-8-10-24-11-9-20/h12-14H,2-11H2,1H3.
What are the key properties of 5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one has a molecular weight of 334.42 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one is sourced from PubChem (CID 53202212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).