(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone

C18H22FN3O2 — CID 70744049

IUPAC(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(COc3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H22FN3O2/c1-2-22-11-9-17(20-22)18(23)21-10-3-4-14(12-21)13-24-16-7-5-15(19)6-8-16/h5-9,11,14H,2-4,10,12-13H2,1H3
InChIKeyMZVCZXBGQIUWQG-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.97
Rot. Bonds5

About (1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 70744049) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
PubChem CID70744049
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(COc3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H22FN3O2/c1-2-22-11-9-17(20-22)18(23)21-10-3-4-14(12-21)13-24-16-7-5-15(19)6-8-16/h5-9,11,14H,2-4,10,12-13H2,1H3
InChIKeyMZVCZXBGQIUWQG-UHFFFAOYSA-N
XLogP2.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 35326018
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70781847
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 96576627
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604
5-[(3S)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95867474
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 96579568
1-ethyl-4-[3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 46957846
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124990011

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (CID 70744049) is (1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCCC(COc3ccc(F)cc3)C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is MZVCZXBGQIUWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-2-22-11-9-17(20-22)18(23)21-10-3-4-14(12-21)13-24-16-7-5-15(19)6-8-16/h5-9,11,14H,2-4,10,12-13H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 331.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70744049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).