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

C17H20FN3O2S — CID 111109253

IUPAC4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H20FN3O2S/c1-11-10-24-16(19-11)20-17(23)21-8-6-13(7-9-21)15(22)12-2-4-14(18)5-3-12/h2-5,10,13,15,22H,6-9H2,1H3,(H,19,20,23)
InChIKeyOKPCDCAZUXLOKD-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.57
Rot. Bonds3

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

4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 111109253) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID111109253
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H20FN3O2S/c1-11-10-24-16(19-11)20-17(23)21-8-6-13(7-9-21)15(22)12-2-4-14(18)5-3-12/h2-5,10,13,15,22H,6-9H2,1H3,(H,19,20,23)
InChIKeyOKPCDCAZUXLOKD-UHFFFAOYSA-N
XLogP3.57
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 22559623
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
CID 111109553
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 111109390
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 167903662
N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide
CID 25052527
2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682851
4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 86986741
(4,5-dimethylthiophen-2-yl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109363

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 111109253) is 4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is Cc1csc(NC(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is OKPCDCAZUXLOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-11-10-24-16(19-11)20-17(23)21-8-6-13(7-9-21)15(22)12-2-4-14(18)5-3-12/h2-5,10,13,15,22H,6-9H2,1H3,(H,19,20,23).
What are the key properties of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 111109253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).