(2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide

C18H19FN4O2S — CID 95723495

IUPAC(2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H]1CNCCN1C(=O)CSc1ccncc1
InChIInChI=1S/C18H19FN4O2S/c19-13-1-3-14(4-2-13)22-18(25)16-11-21-9-10-23(16)17(24)12-26-15-5-7-20-8-6-15/h1-8,16,21H,9-12H2,(H,22,25)/t16-/m0/s1
InChIKeyWYXOZTRSPIQSAN-INIZCTEOSA-N
MW374.44 g/mol
LogP1.75
Rot. Bonds5

About (2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide

(2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide (PubChem CID 95723495) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide
PubChem CID95723495
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name(2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H]1CNCCN1C(=O)CSc1ccncc1
InChIInChI=1S/C18H19FN4O2S/c19-13-1-3-14(4-2-13)22-18(25)16-11-21-9-10-23(16)17(24)12-26-15-5-7-20-8-6-15/h1-8,16,21H,9-12H2,(H,22,25)/t16-/m0/s1
InChIKeyWYXOZTRSPIQSAN-INIZCTEOSA-N
XLogP1.75
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
CID 56887539
1-methyl-N-pyridin-4-ylpiperazine-2-carboxamide
CID 115177729
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-4-ylsulfanylethanone;hydrochloride
CID 120739005
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
CID 124513931
(2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide
CID 95725095
(2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124968608
methyl 1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidine-2-carboxylate
CID 43422559
1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 62672588
5-oxo-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxylic acid
CID 107432749
(2S)-N-cyclopropyl-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperazine-2-carboxamide
CID 95721031
1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 56894686
2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
CID 119470861

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide (CID 95723495) is (2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide is O=C(Nc1ccc(F)cc1)[C@@H]1CNCCN1C(=O)CSc1ccncc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide?
The InChIKey is WYXOZTRSPIQSAN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c19-13-1-3-14(4-2-13)22-18(25)16-11-21-9-10-23(16)17(24)12-26-15-5-7-20-8-6-15/h1-8,16,21H,9-12H2,(H,22,25)/t16-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide?
(2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 95723495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).