[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone

C17H18FN3O2S — CID 119798418

IUPAC[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
SMILESNCc1nc(C(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)cs1
InChIInChI=1S/C17H18FN3O2S/c18-13-5-3-11(4-6-13)16(22)12-2-1-7-21(9-12)17(23)14-10-24-15(8-19)20-14/h3-6,10,12H,1-2,7-9,19H2
InChIKeyVHCYDLMJDSQSCH-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.48
Rot. Bonds4

About [1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone

[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 119798418) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is [1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
PubChem CID119798418
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
SMILESNCc1nc(C(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)cs1
InChIInChI=1S/C17H18FN3O2S/c18-13-5-3-11(4-6-13)16(22)12-2-1-7-21(9-12)17(23)14-10-24-15(8-19)20-14/h3-6,10,12H,1-2,7-9,19H2
InChIKeyVHCYDLMJDSQSCH-UHFFFAOYSA-N
XLogP2.48
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
2-[[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244732
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763251
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 119755496
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119758493
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 95773916
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807837
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119838905
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
CID 119807836
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 119696003
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656

Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone (CID 119798418) is [1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone is NCc1nc(C(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)cs1.
What is the InChIKey of [1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is VHCYDLMJDSQSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-13-5-3-11(4-6-13)16(22)12-2-1-7-21(9-12)17(23)14-10-24-15(8-19)20-14/h3-6,10,12H,1-2,7-9,19H2.
What are the key properties of [1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone?
[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 347.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 119798418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).