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

C21H28FN3O2 — CID 42591548

IUPAC(5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cc(CC(C)C)n[nH]2)C1
InChIInChI=1S/C21H28FN3O2/c1-14(2)9-17-11-18(24-23-17)13-25-8-4-5-15(12-25)21(26)19-10-16(22)6-7-20(19)27-3/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyDKHPBTPCTZRFLZ-HNNXBMFYSA-N
MW373.47 g/mol
LogP3.85
Rot. Bonds7

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

(5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone (PubChem CID 42591548) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone
PubChem CID42591548
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name(5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cc(CC(C)C)n[nH]2)C1
InChIInChI=1S/C21H28FN3O2/c1-14(2)9-17-11-18(24-23-17)13-25-8-4-5-15(12-25)21(26)19-10-16(22)6-7-20(19)27-3/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyDKHPBTPCTZRFLZ-HNNXBMFYSA-N
XLogP3.85
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 42595073
(5-fluoro-2-methoxyphenyl)-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone
CID 45206328
1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 25453186
2-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]benzonitrile
CID 95550185
(5-fluoro-2-methoxyphenyl)-[(3R)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]methanone
CID 26331855
(5-fluoro-2-methoxyphenyl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 42196001
ethyl 4-[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 25457872
(2,5-difluorophenyl)-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]methanone
CID 24790323
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42513467
(5-chloro-2-methoxyphenyl)-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone
CID 42465955
[1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 24791060
(2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone
CID 45191829

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone (CID 42591548) is (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone is COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cc(CC(C)C)n[nH]2)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone?
The InChIKey is DKHPBTPCTZRFLZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-14(2)9-17-11-18(24-23-17)13-25-8-4-5-15(12-25)21(26)19-10-16(22)6-7-20(19)27-3/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,23,24)/t15-/m0/s1.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone has a molecular weight of 373.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 42591548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).