(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

C16H19FN4OS — CID 97318687

IUPAC(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCSc1ccc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1F
InChIInChI=1S/C16H19FN4OS/c1-23-14-5-4-12(9-13(14)17)20-16(22)21-8-2-3-11(10-21)15-18-6-7-19-15/h4-7,9,11H,2-3,8,10H2,1H3,(H,18,19)(H,20,22)/t11-/m0/s1
InChIKeyDIGVRRMFDCDYBT-NSHDSACASA-N
MW334.42 g/mol
LogP3.68
Rot. Bonds3

About (3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 97318687) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is (3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID97318687
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC Name(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCSc1ccc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1F
InChIInChI=1S/C16H19FN4OS/c1-23-14-5-4-12(9-13(14)17)20-16(22)21-8-2-3-11(10-21)15-18-6-7-19-15/h4-7,9,11H,2-3,8,10H2,1H3,(H,18,19)(H,20,22)/t11-/m0/s1
InChIKeyDIGVRRMFDCDYBT-NSHDSACASA-N
XLogP3.68
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97212513
3-(1H-imidazol-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-1-carboxamide
CID 75422963
(3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97212512
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97319285
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
CID 95968867
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 146123480
methyl 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]acetate
CID 97319118
(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125157690
N-(3-fluoro-4-methylsulfanylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71925253
(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
CID 95968600

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 97318687) is (3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is CSc1ccc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1F.
What is the InChIKey of (3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is DIGVRRMFDCDYBT-NSHDSACASA-N. The full InChI is InChI=1S/C16H19FN4OS/c1-23-14-5-4-12(9-13(14)17)20-16(22)21-8-2-3-11(10-21)15-18-6-7-19-15/h4-7,9,11H,2-3,8,10H2,1H3,(H,18,19)(H,20,22)/t11-/m0/s1.
What are the key properties of (3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97318687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).