(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone

C17H18FN3O2 — CID 95773916

IUPAC(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n[nH]1
InChIInChI=1S/C17H18FN3O2/c1-11-9-15(20-19-11)17(23)21-8-2-3-13(10-21)16(22)12-4-6-14(18)7-5-12/h4-7,9,13H,2-3,8,10H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyAGZHNYHFKMLGHR-CYBMUJFWSA-N
MW315.35 g/mol
LogP2.59
Rot. Bonds3

About (4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone

(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 95773916) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
PubChem CID95773916
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n[nH]1
InChIInChI=1S/C17H18FN3O2/c1-11-9-15(20-19-11)17(23)21-8-2-3-13(10-21)16(22)12-4-6-14(18)7-5-12/h4-7,9,13H,2-3,8,10H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyAGZHNYHFKMLGHR-CYBMUJFWSA-N
XLogP2.59
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 16671792
[1-(5-benzyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 166186060
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 71919840
(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129367196
(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 119798418
(4-fluorophenyl)-[1-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperidin-3-yl]methanone
CID 119798386
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 56915916

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone (CID 95773916) is (4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone is Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n[nH]1.
What is the InChIKey of (4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is AGZHNYHFKMLGHR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-11-9-15(20-19-11)17(23)21-8-2-3-13(10-21)16(22)12-4-6-14(18)7-5-12/h4-7,9,13H,2-3,8,10H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone?
(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 315.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 95773916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).