1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

C19H28FN3OS — CID 126899813

IUPAC1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2csc(C3CCCC3)n2)CC1
InChIInChI=1S/C19H28FN3OS/c20-10-14-9-18(24)23(11-14)17-5-7-22(8-6-17)12-16-13-25-19(21-16)15-3-1-2-4-15/h13-15,17H,1-12H2
InChIKeyMFUIQRYXWASOMA-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.58
Rot. Bonds5

About 1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one

1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899813) has the molecular formula C19H28FN3OS and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899813
Molecular FormulaC19H28FN3OS
Molecular Weight365.52 g/mol
Exact Mass365.19
IUPAC Name1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2csc(C3CCCC3)n2)CC1
InChIInChI=1S/C19H28FN3OS/c20-10-14-9-18(24)23(11-14)17-5-7-22(8-6-17)12-16-13-25-19(21-16)15-3-1-2-4-15/h13-15,17H,1-12H2
InChIKeyMFUIQRYXWASOMA-UHFFFAOYSA-N
XLogP3.58
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one with MolForge

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Related Compounds

1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160
1-[1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948332
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56812929
1-[1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945310
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899745
2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171130226
2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 165435501
3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 122101002
2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927059
N-[(2S)-butan-2-yl]-2-[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 51946628
N-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328418

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899813) is 1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(Cc2csc(C3CCCC3)n2)CC1.
What is the InChIKey of 1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is MFUIQRYXWASOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3OS/c20-10-14-9-18(24)23(11-14)17-5-7-22(8-6-17)12-16-13-25-19(21-16)15-3-1-2-4-15/h13-15,17H,1-12H2.
What are the key properties of 1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 365.52 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).