(3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

C21H22N4O2 — CID 96578119

IUPAC(3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cccc(-n2cccn2)c1)N1CCC[C@H](OCc2ccccn2)C1
InChIInChI=1S/C21H22N4O2/c26-21(17-6-3-8-19(14-17)25-13-5-11-23-25)24-12-4-9-20(15-24)27-16-18-7-1-2-10-22-18/h1-3,5-8,10-11,13-14,20H,4,9,12,15-16H2/t20-/m0/s1
InChIKeyCAONAUDSHNQZLK-FQEVSTJZSA-N
MW362.43 g/mol
LogP3.09
Rot. Bonds5

About (3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

(3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 96578119) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID96578119
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cccc(-n2cccn2)c1)N1CCC[C@H](OCc2ccccn2)C1
InChIInChI=1S/C21H22N4O2/c26-21(17-6-3-8-19(14-17)25-13-5-11-23-25)24-12-4-9-20(15-24)27-16-18-7-1-2-10-22-18/h1-3,5-8,10-11,13-14,20H,4,9,12,15-16H2/t20-/m0/s1
InChIKeyCAONAUDSHNQZLK-FQEVSTJZSA-N
XLogP3.09
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122268198
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91770782
(2-methyl-1-benzofuran-5-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 72939536
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 91781327
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 124689004
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 96574450
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 162633123

Frequently Asked Questions

What is the IUPAC name of (3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of (3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (CID 96578119) is (3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is O=C(c1cccc(-n2cccn2)c1)N1CCC[C@H](OCc2ccccn2)C1.
What is the InChIKey of (3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is CAONAUDSHNQZLK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(17-6-3-8-19(14-17)25-13-5-11-23-25)24-12-4-9-20(15-24)27-16-18-7-1-2-10-22-18/h1-3,5-8,10-11,13-14,20H,4,9,12,15-16H2/t20-/m0/s1.
What are the key properties of (3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
(3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 96578119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).