(2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide

C17H26FN3OS — CID 162628209

IUPAC(2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide
SMILESCSC(C)(C)[C@H](N)C(=O)NC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3OS/c1-17(2,23-3)15(19)16(22)20-13-8-10-21(11-9-13)14-6-4-12(18)5-7-14/h4-7,13,15H,8-11,19H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyKHZFWUMNWMGSRL-OAHLLOKOSA-N
MW339.48 g/mol
LogP2.38
Rot. Bonds5

About (2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide

(2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide (PubChem CID 162628209) has the molecular formula C17H26FN3OS and a molecular weight of 339.48 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide
PubChem CID162628209
Molecular FormulaC17H26FN3OS
Molecular Weight339.48 g/mol
Exact Mass339.18
IUPAC Name(2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide
SMILESCSC(C)(C)[C@H](N)C(=O)NC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3OS/c1-17(2,23-3)15(19)16(22)20-13-8-10-21(11-9-13)14-6-4-12(18)5-7-14/h4-7,13,15H,8-11,19H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyKHZFWUMNWMGSRL-OAHLLOKOSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(N-Propionylaniline)piperidine
CID 259381
N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 649412
N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
CID 1832909
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-fluorophenyl)-5-oxothiolane-3-carboxamide
CID 3227527
N-cyclohexyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253429
N-(4-fluorophenyl)-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 9467018
Cyclopentyl-[3-(4-fluoroanilino)piperidino]methanone
CID 24790190
N-(4-fluorophenyl)-1-[3-(1-methylcyclopropyl)propanoyl]-3-piperidinamine
CID 24818997
(S)-2-Amino-4-phenylamino-1-piperidin-1-yl-butan-1-one
CID 11436930
((2S,4S)-4-(4-(4-fluorophenyl)piperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone
CID 44439332
thioacetic acid S-{(S)-6-[((S)-6-oxo-piperidine-2-carbonyl)-amino]-6-phenylcarbamoyl-hexyl}ester
CID 71506894
Thioacetic acid S-{(S)-6-[((R)-6-oxo-piperidine-2-carbonyl)-amino]-6-phenylcarbamoyl-hexyl}ester
CID 71534515

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide (CID 162628209) is (2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide is CSC(C)(C)[C@H](N)C(=O)NC1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide?
The InChIKey is KHZFWUMNWMGSRL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26FN3OS/c1-17(2,23-3)15(19)16(22)20-13-8-10-21(11-9-13)14-6-4-12(18)5-7-14/h4-7,13,15H,8-11,19H2,1-3H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide?
(2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide has a molecular weight of 339.48 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide is sourced from PubChem (CID 162628209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).