3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea

C13H21N5O2 — CID 178146937

IUPAC3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea
SMILESCCOc1cnc(NC(=O)N(C)[C@@H]2CCCNC2)cn1
InChIInChI=1S/C13H21N5O2/c1-3-20-12-9-15-11(8-16-12)17-13(19)18(2)10-5-4-6-14-7-10/h8-10,14H,3-7H2,1-2H3,(H,15,17,19)/t10-/m1/s1
InChIKeyRWAVWJPNRUSURC-SNVBAGLBSA-N
MW279.34 g/mol
LogP1.09
Rot. Bonds4

About 3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea

3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea (PubChem CID 178146937) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea.

Molecular Properties

Compound Name3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea
PubChem CID178146937
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea
SMILESCCOc1cnc(NC(=O)N(C)[C@@H]2CCCNC2)cn1
InChIInChI=1S/C13H21N5O2/c1-3-20-12-9-15-11(8-16-12)17-13(19)18(2)10-5-4-6-14-7-10/h8-10,14H,3-7H2,1-2H3,(H,15,17,19)/t10-/m1/s1
InChIKeyRWAVWJPNRUSURC-SNVBAGLBSA-N
XLogP1.09
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea
CID 178146886
cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147183
3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea
CID 63643002
1-methyl-1-piperidin-3-yl-3-propylurea
CID 60800516
N-methyl-N-[(3S)-piperidin-3-yl]propanamide
CID 93313714
2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147010
3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea
CID 60800156
N-methyl-N-piperidin-3-yl-1H-pyrazole-4-carboxamide
CID 60806877
N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66319466
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl formate;1-[4,4-difluoro-1-[4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea
CID 178146974
5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide
CID 104786200

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea?
The IUPAC name of 3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea (CID 178146937) is 3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea.
What is the SMILES notation for 3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea?
The canonical SMILES for 3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea is CCOc1cnc(NC(=O)N(C)[C@@H]2CCCNC2)cn1.
What is the InChIKey of 3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea?
The InChIKey is RWAVWJPNRUSURC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-20-12-9-15-11(8-16-12)17-13(19)18(2)10-5-4-6-14-7-10/h8-10,14H,3-7H2,1-2H3,(H,15,17,19)/t10-/m1/s1.
What are the key properties of 3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea?
3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea has a molecular weight of 279.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxypyrazin-2-yl)-1-methyl-1-[(3R)-piperidin-3-yl]urea is sourced from PubChem (CID 178146937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).