6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one

C22H27N3O2 — CID 51494227

IUPAC6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one
SMILESCc1ccc([C@H](C)C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-15-3-5-17(6-4-15)16(2)22(27)24-13-11-19(12-14-24)25-21(26)10-9-20(23-25)18-7-8-18/h3-6,9-10,16,18-19H,7-8,11-14H2,1-2H3/t16-/m0/s1
InChIKeyCWWGISWIVXKNQJ-INIZCTEOSA-N
MW365.48 g/mol
LogP3.40
Rot. Bonds4

About 6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one

6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one (PubChem CID 51494227) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one
PubChem CID51494227
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one
SMILESCc1ccc([C@H](C)C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-15-3-5-17(6-4-15)16(2)22(27)24-13-11-19(12-14-24)25-21(26)10-9-20(23-25)18-7-8-18/h3-6,9-10,16,18-19H,7-8,11-14H2,1-2H3/t16-/m0/s1
InChIKeyCWWGISWIVXKNQJ-INIZCTEOSA-N
XLogP3.40
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one (CID 51494227) is 6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one is Cc1ccc([C@H](C)C(=O)N2CCC(n3nc(C4CC4)ccc3=O)CC2)cc1.
What is the InChIKey of 6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one?
The InChIKey is CWWGISWIVXKNQJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-3-5-17(6-4-15)16(2)22(27)24-13-11-19(12-14-24)25-21(26)10-9-20(23-25)18-7-8-18/h3-6,9-10,16,18-19H,7-8,11-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one?
6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one has a molecular weight of 365.48 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-4-yl]pyridazin-3-one is sourced from PubChem (CID 51494227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).