(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C16H18FN3O2 — CID 56757178

IUPAC(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1c(F)cccc1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C16H18FN3O2/c1-22-15-12(5-2-6-13(15)17)16(21)20-9-3-4-11(10-20)14-7-8-18-19-14/h2,5-8,11H,3-4,9-10H2,1H3,(H,18,19)
InChIKeyAARIVHIACHFMPZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.58
Rot. Bonds3

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

(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 56757178) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is (3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID56757178
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1c(F)cccc1C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C16H18FN3O2/c1-22-15-12(5-2-6-13(15)17)16(21)20-9-3-4-11(10-20)14-7-8-18-19-14/h2,5-8,11H,3-4,9-10H2,1H3,(H,18,19)
InChIKeyAARIVHIACHFMPZ-UHFFFAOYSA-N
XLogP2.58
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 71934250
[3-(2,2-dimethylpropylamino)-2-methylphenyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126772863
(4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 115745859
[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 95198872
2-[(3S)-1-(3-fluoro-2-methoxybenzoyl)pyrrolidin-3-yl]benzoic acid
CID 95722755
(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605867
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 99929713
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
(2-chloro-5-fluoro-3-pyridinyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 103892263
(2-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 80983810
(3-fluoro-2-methoxyphenyl)-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550301

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 56757178) is (3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is COc1c(F)cccc1C(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of (3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is AARIVHIACHFMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-22-15-12(5-2-6-13(15)17)16(21)20-9-3-4-11(10-20)14-7-8-18-19-14/h2,5-8,11H,3-4,9-10H2,1H3,(H,18,19).
What are the key properties of (3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 303.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56757178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).