1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea

C15H19N5O2S — CID 128985624

IUPAC1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea
SMILESCn1ccnc(N2CCC(NC(=O)Nc3ccsc3)CC2)c1=O
InChIInChI=1S/C15H19N5O2S/c1-19-8-5-16-13(14(19)21)20-6-2-11(3-7-20)17-15(22)18-12-4-9-23-10-12/h4-5,8-11H,2-3,6-7H2,1H3,(H2,17,18,22)
InChIKeyPZIVYUUUKUFSOX-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.63
Rot. Bonds3

About 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea

1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea (PubChem CID 128985624) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea
PubChem CID128985624
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea
SMILESCn1ccnc(N2CCC(NC(=O)Nc3ccsc3)CC2)c1=O
InChIInChI=1S/C15H19N5O2S/c1-19-8-5-16-13(14(19)21)20-6-2-11(3-7-20)17-15(22)18-12-4-9-23-10-12/h4-5,8-11H,2-3,6-7H2,1H3,(H2,17,18,22)
InChIKeyPZIVYUUUKUFSOX-UHFFFAOYSA-N
XLogP1.63
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea
CID 128965407
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-[(2S)-2-methylsulfanylpropyl]urea
CID 129333627
1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
CID 128975594
1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea
CID 128967383
4-(thiophen-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 66355665
1-methyl-3-[4-(thian-3-ylamino)piperidin-1-yl]pyrazin-2-one
CID 128976202
1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea
CID 60570235
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-[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
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-thiophen-3-ylurea?
The IUPAC name of 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea (CID 128985624) is 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea.
What is the SMILES notation for 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea?
The canonical SMILES for 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea is Cn1ccnc(N2CCC(NC(=O)Nc3ccsc3)CC2)c1=O.
What is the InChIKey of 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea?
The InChIKey is PZIVYUUUKUFSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-19-8-5-16-13(14(19)21)20-6-2-11(3-7-20)17-15(22)18-12-4-9-23-10-12/h4-5,8-11H,2-3,6-7H2,1H3,(H2,17,18,22).
What are the key properties of 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea?
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea has a molecular weight of 333.42 g/mol, XLogP of 1.63, 3 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-thiophen-3-ylurea is sourced from PubChem (CID 128985624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).