2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one

C19H23N3O2 — CID 94182934

IUPAC2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
SMILESCC[C@H]1CCCCN1C(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C19H23N3O2/c1-2-16-10-6-7-13-21(16)19(24)14-22-18(23)12-11-17(20-22)15-8-4-3-5-9-15/h3-5,8-9,11-12,16H,2,6-7,10,13-14H2,1H3/t16-/m0/s1
InChIKeyNLDFZZFRDIWQTL-INIZCTEOSA-N
MW325.41 g/mol
LogP2.70
Rot. Bonds4

About 2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one

2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one (PubChem CID 94182934) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
PubChem CID94182934
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
SMILESCC[C@H]1CCCCN1C(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C19H23N3O2/c1-2-16-10-6-7-13-21(16)19(24)14-22-18(23)12-11-17(20-22)15-8-4-3-5-9-15/h3-5,8-9,11-12,16H,2,6-7,10,13-14H2,1H3/t16-/m0/s1
InChIKeyNLDFZZFRDIWQTL-INIZCTEOSA-N
XLogP2.70
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one
CID 94824287
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
2-[2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 52513916
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 682215
ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate
CID 70731385
N,N-diethyl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]-1,4-diazepan-1-yl]acetamide
CID 55831073
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid
CID 119205689
6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
CID 122278749
(1S,6R,7R)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254766
2-[2-(3-methyl-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 126804717

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one (CID 94182934) is 2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one is CC[C@H]1CCCCN1C(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one?
The InChIKey is NLDFZZFRDIWQTL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-16-10-6-7-13-21(16)19(24)14-22-18(23)12-11-17(20-22)15-8-4-3-5-9-15/h3-5,8-9,11-12,16H,2,6-7,10,13-14H2,1H3/t16-/m0/s1.
What are the key properties of 2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one?
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one has a molecular weight of 325.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 94182934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).