[3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C22H23ClN4O — CID 110249808

IUPAC[3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC(c3cccc(Cc4ccc(Cl)cc4)n3)C2)n1
InChIInChI=1S/C22H23ClN4O/c1-26-13-11-21(25-26)22(28)27-12-3-4-17(15-27)20-6-2-5-19(24-20)14-16-7-9-18(23)10-8-16/h2,5-11,13,17H,3-4,12,14-15H2,1H3
InChIKeyXJWOFPBQUOGIDT-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.08
Rot. Bonds4

About [3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 110249808) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is [3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID110249808
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name[3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC(c3cccc(Cc4ccc(Cl)cc4)n3)C2)n1
InChIInChI=1S/C22H23ClN4O/c1-26-13-11-21(25-26)22(28)27-12-3-4-17(15-27)20-6-2-5-19(24-20)14-16-7-9-18(23)10-8-16/h2,5-11,13,17H,3-4,12,14-15H2,1H3
InChIKeyXJWOFPBQUOGIDT-UHFFFAOYSA-N
XLogP4.08
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.08
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
1-[4-[(3S)-3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95810381
1-[(3R)-3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95810408
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110151388
2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810510
[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809449
3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95810084
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 70750234
(1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110250008
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809563

Frequently Asked Questions

What is the IUPAC name of [3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 110249808) is [3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCCC(c3cccc(Cc4ccc(Cl)cc4)n3)C2)n1.
What is the InChIKey of [3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is XJWOFPBQUOGIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-26-13-11-21(25-26)22(28)27-12-3-4-17(15-27)20-6-2-5-19(24-20)14-16-7-9-18(23)10-8-16/h2,5-11,13,17H,3-4,12,14-15H2,1H3.
What are the key properties of [3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 394.91 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110249808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).