5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one

C24H29N5O2 — CID 129324498

IUPAC5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one
SMILESO=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H29N5O2/c30-22-9-12-28(13-10-22)21-14-24(31)29(25-15-21)20-5-3-11-27(17-20)16-19-8-7-18-4-1-2-6-23(18)26-19/h1-2,4,6-8,14-15,20,22,30H,3,5,9-13,16-17H2/t20-/m0/s1
InChIKeyNSUDEHCXOFNJKX-FQEVSTJZSA-N
MW419.53 g/mol
LogP2.59
Rot. Bonds4

About 5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one

5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one (PubChem CID 129324498) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one
PubChem CID129324498
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one
SMILESO=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H29N5O2/c30-22-9-12-28(13-10-22)21-14-24(31)29(25-15-21)20-5-3-11-27(17-20)16-19-8-7-18-4-1-2-6-23(18)26-19/h1-2,4,6-8,14-15,20,22,30H,3,5,9-13,16-17H2/t20-/m0/s1
InChIKeyNSUDEHCXOFNJKX-FQEVSTJZSA-N
XLogP2.59
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one (CID 129324498) is 5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one is O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCCN(Cc2ccc3ccccc3n2)C1.
What is the InChIKey of 5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one?
The InChIKey is NSUDEHCXOFNJKX-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-22-9-12-28(13-10-22)21-14-24(31)29(25-15-21)20-5-3-11-27(17-20)16-19-8-7-18-4-1-2-6-23(18)26-19/h1-2,4,6-8,14-15,20,22,30H,3,5,9-13,16-17H2/t20-/m0/s1.
What are the key properties of 5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one?
5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one has a molecular weight of 419.53 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-(quinolin-2-ylmethyl)piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 129324498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).