N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide

C17H20N4O2S2 — CID 51957012

IUPACN-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide
SMILESC[C@@H](Sc1nncs1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H20N4O2S2/c1-12(25-17-20-18-11-24-17)16(23)21-9-7-14(8-10-21)19-15(22)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyVLYHFTGIXOYFBO-GFCCVEGCSA-N
MW376.51 g/mol
LogP2.44
Rot. Bonds5

About N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide

N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide (PubChem CID 51957012) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide
PubChem CID51957012
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC NameN-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide
SMILESC[C@@H](Sc1nncs1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H20N4O2S2/c1-12(25-17-20-18-11-24-17)16(23)21-9-7-14(8-10-21)19-15(22)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyVLYHFTGIXOYFBO-GFCCVEGCSA-N
XLogP2.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide
CID 97248741
4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide
CID 33498882
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide
CID 123463757
N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218527
N-[1-[(2S)-2-benzylsulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide
CID 51958600
N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 33103822
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide (CID 51957012) is N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide is C[C@@H](Sc1nncs1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide?
The InChIKey is VLYHFTGIXOYFBO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-12(25-17-20-18-11-24-17)16(23)21-9-7-14(8-10-21)19-15(22)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3,(H,19,22)/t12-/m1/s1.
What are the key properties of N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide?
N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide has a molecular weight of 376.51 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 51957012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).