[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C21H21ClN4O — CID 110249855

IUPAC[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C21H21ClN4O/c1-25-20(10-11-23-25)21(27)26-12-4-6-16(14-26)19-9-3-8-18(24-19)15-5-2-7-17(22)13-15/h2-3,5,7-11,13,16H,4,6,12,14H2,1H3
InChIKeyXUBMIKJKESYGIS-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.16
Rot. Bonds3

About [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 110249855) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID110249855
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C21H21ClN4O/c1-25-20(10-11-23-25)21(27)26-12-4-6-16(14-26)19-9-3-8-18(24-19)15-5-2-7-17(22)13-15/h2-3,5,7-11,13,16H,4,6,12,14H2,1H3
InChIKeyXUBMIKJKESYGIS-UHFFFAOYSA-N
XLogP4.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95810392
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110089801
[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95810181
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 110089800
(2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95107346
[3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 127249503
[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110255383
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810668
(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95810788
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 124943104

Frequently Asked Questions

What is the IUPAC name of [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 110249855) is [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1.
What is the InChIKey of [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is XUBMIKJKESYGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-25-20(10-11-23-25)21(27)26-12-4-6-16(14-26)19-9-3-8-18(24-19)15-5-2-7-17(22)13-15/h2-3,5,7-11,13,16H,4,6,12,14H2,1H3.
What are the key properties of [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 380.88 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110249855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).