2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one

C22H26N4O3 — CID 129323592

IUPAC2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1[C@H]1CCCN(Cc2coc3ccccc23)C1
InChIInChI=1S/C22H26N4O3/c27-22-12-19(25-8-10-28-11-9-25)13-23-26(22)18-4-3-7-24(15-18)14-17-16-29-21-6-2-1-5-20(17)21/h1-2,5-6,12-13,16,18H,3-4,7-11,14-15H2/t18-/m0/s1
InChIKeyCEFYGCVITBNSPF-SFHVURJKSA-N
MW394.48 g/mol
LogP2.66
Rot. Bonds4

About 2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one

2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 129323592) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID129323592
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1[C@H]1CCCN(Cc2coc3ccccc23)C1
InChIInChI=1S/C22H26N4O3/c27-22-12-19(25-8-10-28-11-9-25)13-23-26(22)18-4-3-7-24(15-18)14-17-16-29-21-6-2-1-5-20(17)21/h1-2,5-6,12-13,16,18H,3-4,7-11,14-15H2/t18-/m0/s1
InChIKeyCEFYGCVITBNSPF-SFHVURJKSA-N
XLogP2.66
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129324949
2-[(3S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129323681
5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one
CID 129324498
4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine
CID 123895819
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 128991314
5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one
CID 128968445
3-methyl-4-[[(3R)-3-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 129323874
2-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]-5-[(3S)-3-hydroxypyrrolidin-1-yl]pyridazin-3-one
CID 128966232
2-[(3S)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)piperidin-3-yl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 129325061
2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one
CID 128971692
2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129324382
3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
CID 110219603

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one (CID 129323592) is 2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one is O=c1cc(N2CCOCC2)cnn1[C@H]1CCCN(Cc2coc3ccccc23)C1.
What is the InChIKey of 2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is CEFYGCVITBNSPF-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-22-12-19(25-8-10-28-11-9-25)13-23-26(22)18-4-3-7-24(15-18)14-17-16-29-21-6-2-1-5-20(17)21/h1-2,5-6,12-13,16,18H,3-4,7-11,14-15H2/t18-/m0/s1.
What are the key properties of 2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 394.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 129323592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).