1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

C18H21FN2OS — CID 95353258

IUPAC1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCCC[C@@H]1Cc1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c19-15-6-4-14(5-7-15)13-16-3-1-2-11-21(16)18(22)9-8-17-20-10-12-23-17/h4-7,10,12,16H,1-3,8-9,11,13H2/t16-/m1/s1
InChIKeyMDVHZCVTEZSPCA-MRXNPFEDSA-N
MW332.44 g/mol
LogP3.84
Rot. Bonds5

About 1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 95353258) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID95353258
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCCC[C@@H]1Cc1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c19-15-6-4-14(5-7-15)13-16-3-1-2-11-21(16)18(22)9-8-17-20-10-12-23-17/h4-7,10,12,16H,1-3,8-9,11,13H2/t16-/m1/s1
InChIKeyMDVHZCVTEZSPCA-MRXNPFEDSA-N
XLogP3.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (CID 95353258) is 1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nccs1)N1CCCC[C@@H]1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is MDVHZCVTEZSPCA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21FN2OS/c19-15-6-4-14(5-7-15)13-16-3-1-2-11-21(16)18(22)9-8-17-20-10-12-23-17/h4-7,10,12,16H,1-3,8-9,11,13H2/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 332.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 95353258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).