1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea

C15H25N5O2S — CID 129333627

IUPAC1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea
SMILESCS[C@@H](C)CNC(=O)NC1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C15H25N5O2S/c1-11(23-3)10-17-15(22)18-12-4-7-20(8-5-12)13-14(21)19(2)9-6-16-13/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H2,17,18,22)/t11-/m0/s1
InChIKeyFXXGFYIXANBCED-NSHDSACASA-N
MW339.47 g/mol
LogP0.80
Rot. Bonds5

About 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea

1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea (PubChem CID 129333627) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea.

Molecular Properties

Compound Name1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea
PubChem CID129333627
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea
SMILESCS[C@@H](C)CNC(=O)NC1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C15H25N5O2S/c1-11(23-3)10-17-15(22)18-12-4-7-20(8-5-12)13-14(21)19(2)9-6-16-13/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H2,17,18,22)/t11-/m0/s1
InChIKeyFXXGFYIXANBCED-NSHDSACASA-N
XLogP0.80
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea with MolForge

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Related Compounds

1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
CID 128975594
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea
CID 128985624
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 62938713
3-[(2R,5R)-5-methyloxolan-2-yl]-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]propanamide
CID 129344612
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
1-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-[[(2S)-thiolan-2-yl]methyl]urea
CID 129332840
3-[(3R)-3-[[(2R)-1-methoxypropan-2-yl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475575
3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343770
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
CID 79033439

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea?
The IUPAC name of 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea (CID 129333627) is 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea.
What is the SMILES notation for 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea?
The canonical SMILES for 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea is CS[C@@H](C)CNC(=O)NC1CCN(c2nccn(C)c2=O)CC1.
What is the InChIKey of 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea?
The InChIKey is FXXGFYIXANBCED-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-11(23-3)10-17-15(22)18-12-4-7-20(8-5-12)13-14(21)19(2)9-6-16-13/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H2,17,18,22)/t11-/m0/s1.
What are the key properties of 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea?
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea has a molecular weight of 339.47 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea is sourced from PubChem (CID 129333627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).