(3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide

C16H23N5O2S — CID 125173162

IUPAC(3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide
SMILESCC1(C)SC[C@@H](C(=O)NC2CCN(c3cnccn3)CC2)NC1=O
InChIInChI=1S/C16H23N5O2S/c1-16(2)15(23)20-12(10-24-16)14(22)19-11-3-7-21(8-4-11)13-9-17-5-6-18-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyAFEGYXGIGGZKOG-LBPRGKRZSA-N
MW349.46 g/mol
LogP0.57
Rot. Bonds3

About (3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide

(3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide (PubChem CID 125173162) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is (3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide
PubChem CID125173162
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name(3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide
SMILESCC1(C)SC[C@@H](C(=O)NC2CCN(c3cnccn3)CC2)NC1=O
InChIInChI=1S/C16H23N5O2S/c1-16(2)15(23)20-12(10-24-16)14(22)19-11-3-7-21(8-4-11)13-9-17-5-6-18-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyAFEGYXGIGGZKOG-LBPRGKRZSA-N
XLogP0.57
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide with MolForge

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Related Compounds

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1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 23609685
(3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 97125874
6-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrazine-3-carboxamide
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N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 55710621
N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119854534
4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 119072365
1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 118784685
N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222636
methyl 4-[(1-pyrazin-2-ylpiperidin-4-yl)carbamoylamino]benzoate
CID 118790178
(2R)-2-cyclopentyl-2-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide?
The IUPAC name of (3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide (CID 125173162) is (3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide.
What is the SMILES notation for (3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide?
The canonical SMILES for (3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide is CC1(C)SC[C@@H](C(=O)NC2CCN(c3cnccn3)CC2)NC1=O.
What is the InChIKey of (3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide?
The InChIKey is AFEGYXGIGGZKOG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-16(2)15(23)20-12(10-24-16)14(22)19-11-3-7-21(8-4-11)13-9-17-5-6-18-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of (3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide?
(3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 125173162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).