(2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone

C22H29FN4O2 — CID 155499744

IUPAC(2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
SMILESCc1cccc(F)c1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C22H29FN4O2/c1-16-7-6-8-18(23)20(16)22(28)27-11-12-29-19(15-26-9-4-3-5-10-26)21(27)17-13-24-25(2)14-17/h6-8,13-14,19,21H,3-5,9-12,15H2,1-2H3/t19-,21-/m0/s1
InChIKeyAZWZSTKVHISLGZ-FPOVZHCZSA-N
MW400.50 g/mol
LogP2.94
Rot. Bonds4

About (2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone

(2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone (PubChem CID 155499744) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is (2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
PubChem CID155499744
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name(2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone
SMILESCc1cccc(F)c1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C22H29FN4O2/c1-16-7-6-8-18(23)20(16)22(28)27-11-12-29-19(15-26-9-4-3-5-10-26)21(27)17-13-24-25(2)14-17/h6-8,13-14,19,21H,3-5,9-12,15H2,1-2H3/t19-,21-/m0/s1
InChIKeyAZWZSTKVHISLGZ-FPOVZHCZSA-N
XLogP2.94
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(4-Methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
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CID 53567267
(2,5-Difluorophenyl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471249
(2-Methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 118740911
(4-Fluorophenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 118741146
4-(1-Methylpyrazol-4-yl)-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]phthalazin-1-one
CID 145968141
(1-Benzyl-3-phenylpyrazol-4-yl)-(2,6-dimethylmorpholin-4-yl)methanone
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4-[(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-piperidinyl)carbonyl]morpholine
CID 45215184
2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 50967102
3-(1-ethylpyrazol-4-yl)-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 125179590
[4-(1-ethylpyrazol-4-yl)phenyl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
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(5R,6S)-4-ethyl-6-[3-(4-fluorophenyl)azetidine-1-carbonyl]-5-(1-methylpyrazol-4-yl)morpholin-3-one
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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone (CID 155499744) is (2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone is Cc1cccc(F)c1C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1.
What is the InChIKey of (2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?
The InChIKey is AZWZSTKVHISLGZ-FPOVZHCZSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-16-7-6-8-18(23)20(16)22(28)27-11-12-29-19(15-26-9-4-3-5-10-26)21(27)17-13-24-25(2)14-17/h6-8,13-14,19,21H,3-5,9-12,15H2,1-2H3/t19-,21-/m0/s1.
What are the key properties of (2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone?
(2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone has a molecular weight of 400.50 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methylphenyl)-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 155499744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).