(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C18H19FN4OS — CID 9431545

IUPAC(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1sccc1C#N)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN4OS/c1-13(17(24)21-18-14(12-20)6-11-25-18)22-7-9-23(10-8-22)16-4-2-15(19)3-5-16/h2-6,11,13H,7-10H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyUTJNLWYHMLPYBL-ZDUSSCGKSA-N
MW358.44 g/mol
LogP2.91
Rot. Bonds4

About (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 9431545) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID9431545
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1sccc1C#N)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN4OS/c1-13(17(24)21-18-14(12-20)6-11-25-18)22-7-9-23(10-8-22)16-4-2-15(19)3-5-16/h2-6,11,13H,7-10H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyUTJNLWYHMLPYBL-ZDUSSCGKSA-N
XLogP2.91
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9462050
(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9462046
(2R)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 9431549
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide
CID 9445061
N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17447395
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 41312846
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 41016004
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 51167971
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 9431545) is (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)Nc1sccc1C#N)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is UTJNLWYHMLPYBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-13(17(24)21-18-14(12-20)6-11-25-18)22-7-9-23(10-8-22)16-4-2-15(19)3-5-16/h2-6,11,13H,7-10H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 358.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9431545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).