(3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

C16H25N5O4S — CID 72847499

IUPAC(3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCSCc1noc(CNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C16H25N5O4S/c1-26-10-13-19-14(25-20-13)9-18-15(22)11-6-12(8-17-7-11)16(23)21-2-4-24-5-3-21/h11-12,17H,2-10H2,1H3,(H,18,22)/t11-,12+/m1/s1
InChIKeyBKUBVNZEDTXPBS-NEPJUHHUSA-N
MW383.47 g/mol
LogP-0.37
Rot. Bonds6

About (3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

(3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 72847499) has the molecular formula C16H25N5O4S and a molecular weight of 383.47 g/mol. Its IUPAC name is (3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
PubChem CID72847499
Molecular FormulaC16H25N5O4S
Molecular Weight383.47 g/mol
Exact Mass383.16
IUPAC Name(3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCSCc1noc(CNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C16H25N5O4S/c1-26-10-13-19-14(25-20-13)9-18-15(22)11-6-12(8-17-7-11)16(23)21-2-4-24-5-3-21/h11-12,17H,2-10H2,1H3,(H,18,22)/t11-,12+/m1/s1
InChIKeyBKUBVNZEDTXPBS-NEPJUHHUSA-N
XLogP-0.37
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 72936545
(3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 97188840
[(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 91832975
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 156605985
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
CID 91927829
(3R,5S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72935972
(3R,5S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72874306
(3S,5R)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133115531
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 118773656
(3S,5R)-N-[3-(furan-2-ylmethylsulfanyl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133109656
(3R)-1-ethyl-3-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 97197849
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 135118006

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (CID 72847499) is (3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is CSCc1noc(CNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)n1.
What is the InChIKey of (3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is BKUBVNZEDTXPBS-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H25N5O4S/c1-26-10-13-19-14(25-20-13)9-18-15(22)11-6-12(8-17-7-11)16(23)21-2-4-24-5-3-21/h11-12,17H,2-10H2,1H3,(H,18,22)/t11-,12+/m1/s1.
What are the key properties of (3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
(3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72847499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).