2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one

C19H28N4O2S — CID 91917549

IUPAC2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)N1CCSCC1
InChIInChI=1S/C19H28N4O2S/c24-18(21-6-8-26-9-7-21)10-16-2-1-5-22(13-16)17-11-19(25)23(20-12-17)14-15-3-4-15/h11-12,15-16H,1-10,13-14H2
InChIKeyQCVGJHUKSGZMLD-UHFFFAOYSA-N
MW376.53 g/mol
LogP1.84
Rot. Bonds5

About 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one

2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 91917549) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one
PubChem CID91917549
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)N1CCSCC1
InChIInChI=1S/C19H28N4O2S/c24-18(21-6-8-26-9-7-21)10-16-2-1-5-22(13-16)17-11-19(25)23(20-12-17)14-15-3-4-15/h11-12,15-16H,1-10,13-14H2
InChIKeyQCVGJHUKSGZMLD-UHFFFAOYSA-N
XLogP1.84
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one (CID 91917549) is 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one is O=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)N1CCSCC1.
What is the InChIKey of 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is QCVGJHUKSGZMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c24-18(21-6-8-26-9-7-21)10-16-2-1-5-22(13-16)17-11-19(25)23(20-12-17)14-15-3-4-15/h11-12,15-16H,1-10,13-14H2.
What are the key properties of 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one?
2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 376.53 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-thiomorpholin-4-ylethyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 91917549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).