4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide

C18H25FN4O2S — CID 52898029

IUPAC4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCSCC1
InChIInChI=1S/C18H25FN4O2S/c1-14(17(24)22-10-12-26-13-11-22)20-18(25)23-8-6-21(7-9-23)16-4-2-15(19)3-5-16/h2-5,14H,6-13H2,1H3,(H,20,25)/t14-/m0/s1
InChIKeyCFLMPLUBTWRDMG-AWEZNQCLSA-N
MW380.49 g/mol
LogP1.62
Rot. Bonds3

About 4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide

4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide (PubChem CID 52898029) has the molecular formula C18H25FN4O2S and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide
PubChem CID52898029
Molecular FormulaC18H25FN4O2S
Molecular Weight380.49 g/mol
Exact Mass380.17
IUPAC Name4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCSCC1
InChIInChI=1S/C18H25FN4O2S/c1-14(17(24)22-10-12-26-13-11-22)20-18(25)23-8-6-21(7-9-23)16-4-2-15(19)3-5-16/h2-5,14H,6-13H2,1H3,(H,20,25)/t14-/m0/s1
InChIKeyCFLMPLUBTWRDMG-AWEZNQCLSA-N
XLogP1.62
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 52900769
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215
4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide
CID 53368553
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 52900101
2-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide
CID 110347997
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 53371058
N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 7774557
ethyl 4-[(2R)-2-[[4-(4-chlorophenyl)piperazine-1-carbonyl]amino]propanoyl]piperazine-1-carboxylate
CID 96564180
4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 95395325

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide (CID 52898029) is 4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide is C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCSCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide?
The InChIKey is CFLMPLUBTWRDMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25FN4O2S/c1-14(17(24)22-10-12-26-13-11-22)20-18(25)23-8-6-21(7-9-23)16-4-2-15(19)3-5-16/h2-5,14H,6-13H2,1H3,(H,20,25)/t14-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 52898029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).