2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one

C18H31N5O2 — CID 45229474

IUPAC2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESCC(CN1CCOCC1)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C18H31N5O2/c1-15(14-22-7-9-25-10-8-22)19-12-16-3-5-23(6-4-16)17-11-18(24)21(2)20-13-17/h11,13,15-16,19H,3-10,12,14H2,1-2H3
InChIKeyVZEFCBGNUHSZKJ-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.31
Rot. Bonds6

About 2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one

2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 45229474) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID45229474
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESCC(CN1CCOCC1)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C18H31N5O2/c1-15(14-22-7-9-25-10-8-22)19-12-16-3-5-23(6-4-16)17-11-18(24)21(2)20-13-17/h11,13,15-16,19H,3-10,12,14H2,1-2H3
InChIKeyVZEFCBGNUHSZKJ-UHFFFAOYSA-N
XLogP0.31
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one (CID 45229474) is 2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one is CC(CN1CCOCC1)NCC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is VZEFCBGNUHSZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-15(14-22-7-9-25-10-8-22)19-12-16-3-5-23(6-4-16)17-11-18(24)21(2)20-13-17/h11,13,15-16,19H,3-10,12,14H2,1-2H3.
What are the key properties of 2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 349.48 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 45229474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).