4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide

C19H24FN3O2S — CID 22559623

IUPAC4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C19H24FN3O2S/c1-12(2)16-11-21-18(26-16)22-19(25)23-9-7-14(8-10-23)17(24)13-3-5-15(20)6-4-13/h3-6,11-12,14,17,24H,7-10H2,1-2H3,(H,21,22,25)
InChIKeyHXLRJZHJJPDQQI-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.38
Rot. Bonds4

About 4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide

4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 22559623) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID22559623
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C19H24FN3O2S/c1-12(2)16-11-21-18(26-16)22-19(25)23-9-7-14(8-10-23)17(24)13-3-5-15(20)6-4-13/h3-6,11-12,14,17,24H,7-10H2,1-2H3,(H,21,22,25)
InChIKeyHXLRJZHJJPDQQI-UHFFFAOYSA-N
XLogP4.38
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 111109253
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
CID 111109553
4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 111109548
4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 59143398
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55743984
4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 126775773
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 22559572
(Z)-3-cyclopropyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]but-2-en-1-one
CID 111109413
(4,5-dimethylthiophen-2-yl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109363
4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 111482924

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 22559623) is 4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide is CC(C)c1cnc(NC(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)s1.
What is the InChIKey of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is HXLRJZHJJPDQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-12(2)16-11-21-18(26-16)22-19(25)23-9-7-14(8-10-23)17(24)13-3-5-15(20)6-4-13/h3-6,11-12,14,17,24H,7-10H2,1-2H3,(H,21,22,25).
What are the key properties of 4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.38, 4 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-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 22559623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).