[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone

C18H21N3O — CID 70764538

IUPAC[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
SMILESO=C(c1cccnn1)N1CCCCC1CCc1ccccc1
InChIInChI=1S/C18H21N3O/c22-18(17-10-6-13-19-20-17)21-14-5-4-9-16(21)12-11-15-7-2-1-3-8-15/h1-3,6-8,10,13,16H,4-5,9,11-12,14H2
InChIKeyBMROOZIGJJWKFF-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.10
Rot. Bonds4

About [2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone

[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone (PubChem CID 70764538) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
PubChem CID70764538
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
SMILESO=C(c1cccnn1)N1CCCCC1CCc1ccccc1
InChIInChI=1S/C18H21N3O/c22-18(17-10-6-13-19-20-17)21-14-5-4-9-16(21)12-11-15-7-2-1-3-8-15/h1-3,6-8,10,13,16H,4-5,9,11-12,14H2
InChIKeyBMROOZIGJJWKFF-UHFFFAOYSA-N
XLogP3.10
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclohexyltriazol-4-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 42384261
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96576779
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96579588
(4-chloro-1-methylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97119632
[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea
CID 70715527
1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 97101247
3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97247319
[2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 70780089
[2-(2-chloroethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 55187043
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
1-methyl-5-[(2R)-2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-one
CID 97084725

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone?
The IUPAC name of [2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone (CID 70764538) is [2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone.
What is the SMILES notation for [2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone?
The canonical SMILES for [2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone is O=C(c1cccnn1)N1CCCCC1CCc1ccccc1.
What is the InChIKey of [2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone?
The InChIKey is BMROOZIGJJWKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(17-10-6-13-19-20-17)21-14-5-4-9-16(21)12-11-15-7-2-1-3-8-15/h1-3,6-8,10,13,16H,4-5,9,11-12,14H2.
What are the key properties of [2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone?
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone has a molecular weight of 295.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone is sourced from PubChem (CID 70764538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).