1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide

C20H22FN3O2S — CID 38273564

IUPAC1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1F)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H22FN3O2S/c21-17-4-2-1-3-16(17)13-24-11-12-27-20(24)22-18(25)14-7-9-23(10-8-14)19(26)15-5-6-15/h1-4,11-12,14-15H,5-10,13H2/b22-20-
InChIKeyWITKKLKKZWWKAF-XDOYNYLZSA-N
MW387.48 g/mol
LogP2.81
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide (PubChem CID 38273564) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide
PubChem CID38273564
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC Name1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1F)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H22FN3O2S/c21-17-4-2-1-3-16(17)13-24-11-12-27-20(24)22-18(25)14-7-9-23(10-8-14)19(26)15-5-6-15/h1-4,11-12,14-15H,5-10,13H2/b22-20-
InChIKeyWITKKLKKZWWKAF-XDOYNYLZSA-N
XLogP2.81
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide
CID 38273891
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CID 55575994
2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
CID 119822782
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974498
N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide
CID 18209405
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357912
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 94824026
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CID 27676586
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide
CID 55388028
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 16561302
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide (CID 38273564) is 1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide is O=C(/N=c1\sccn1Cc1ccccc1F)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide?
The InChIKey is WITKKLKKZWWKAF-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c21-17-4-2-1-3-16(17)13-24-11-12-27-20(24)22-18(25)14-7-9-23(10-8-14)19(26)15-5-6-15/h1-4,11-12,14-15H,5-10,13H2/b22-20-.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide is sourced from PubChem (CID 38273564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).