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

C18H29N5O2 — CID 96998264

IUPAC3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one
SMILESCN(C[C@@H]1CN(CCC(=O)N2CCCCC2)CCO1)c1cccnn1
InChIInChI=1S/C18H29N5O2/c1-21(17-6-5-8-19-20-17)14-16-15-22(12-13-25-16)11-7-18(24)23-9-3-2-4-10-23/h5-6,8,16H,2-4,7,9-15H2,1H3/t16-/m1/s1
InChIKeyKLFOYEPUQKRZMW-MRXNPFEDSA-N
MW347.46 g/mol
LogP1.02
Rot. Bonds6

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

3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 96998264) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID96998264
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one
SMILESCN(C[C@@H]1CN(CCC(=O)N2CCCCC2)CCO1)c1cccnn1
InChIInChI=1S/C18H29N5O2/c1-21(17-6-5-8-19-20-17)14-16-15-22(12-13-25-16)11-7-18(24)23-9-3-2-4-10-23/h5-6,8,16H,2-4,7,9-15H2,1H3/t16-/m1/s1
InChIKeyKLFOYEPUQKRZMW-MRXNPFEDSA-N
XLogP1.02
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one with MolForge

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Related Compounds

2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
CID 71872661
N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 96998278
N-methyl-N-[[4-[3-(4-methyl-3-pyridinyl)propyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 167853689
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
CID 71872628
N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
CID 96998292
N-methyl-N-[[(2R)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 97004851
N-[[(2R)-4-[2-(3-fluorophenoxy)ethyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
CID 96998271
N-(furan-2-ylmethyl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
CID 71872660
N-[[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
CID 71872633
[2-formyl-4-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholine-4-carbonyl]phenyl]boronic acid
CID 167923281
N-[(4-cyclohex-2-en-1-ylmorpholin-2-yl)methyl]-N-methylpyridazin-3-amine
CID 71928443
N-[[4-(cyclobutylmethyl)morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine
CID 71928433

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one (CID 96998264) is 3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one is CN(C[C@@H]1CN(CCC(=O)N2CCCCC2)CCO1)c1cccnn1.
What is the InChIKey of 3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is KLFOYEPUQKRZMW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-21(17-6-5-8-19-20-17)14-16-15-22(12-13-25-16)11-7-18(24)23-9-3-2-4-10-23/h5-6,8,16H,2-4,7,9-15H2,1H3/t16-/m1/s1.
What are the key properties of 3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one?
3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 347.46 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 96998264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).