[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C22H24N4O2 — CID 110249761

IUPAC[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOc1cccc(Cc2cccc(C3CCCN(C(=O)c4ccn[nH]4)C3)n2)c1
InChIInChI=1S/C22H24N4O2/c1-28-19-8-2-5-16(14-19)13-18-7-3-9-20(24-18)17-6-4-12-26(15-17)22(27)21-10-11-23-25-21/h2-3,5,7-11,14,17H,4,6,12-13,15H2,1H3,(H,23,25)
InChIKeyUYGHBDXZCAXBCQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.42
Rot. Bonds5

About [3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 110249761) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID110249761
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOc1cccc(Cc2cccc(C3CCCN(C(=O)c4ccn[nH]4)C3)n2)c1
InChIInChI=1S/C22H24N4O2/c1-28-19-8-2-5-16(14-19)13-18-7-3-9-20(24-18)17-6-4-12-26(15-17)22(27)21-10-11-23-25-21/h2-3,5,7-11,14,17H,4,6,12-13,15H2,1H3,(H,23,25)
InChIKeyUYGHBDXZCAXBCQ-UHFFFAOYSA-N
XLogP3.42
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95809516
[(3R)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809563
2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249322
[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95810149
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809167
2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809893
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205
(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809658
1-[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methoxyethanone
CID 95809601
(4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809016
1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110254401
[2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110254646

Frequently Asked Questions

What is the IUPAC name of [3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 110249761) is [3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is COc1cccc(Cc2cccc(C3CCCN(C(=O)c4ccn[nH]4)C3)n2)c1.
What is the InChIKey of [3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is UYGHBDXZCAXBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-19-8-2-5-16(14-19)13-18-7-3-9-20(24-18)17-6-4-12-26(15-17)22(27)21-10-11-23-25-21/h2-3,5,7-11,14,17H,4,6,12-13,15H2,1H3,(H,23,25).
What are the key properties of [3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110249761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).