1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea

C20H25ClN6O2 — CID 146346912

IUPAC1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea
SMILESO=C(Nc1cncc(-c2ccc(N3CCOCC3)c(Cl)c2)n1)NC1CCCNC1
InChIInChI=1S/C20H25ClN6O2/c21-16-10-14(3-4-18(16)27-6-8-29-9-7-27)17-12-23-13-19(25-17)26-20(28)24-15-2-1-5-22-11-15/h3-4,10,12-13,15,22H,1-2,5-9,11H2,(H2,24,25,26,28)
InChIKeyFFTJLQMBRGBKBB-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.51
Rot. Bonds4

About 1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea

1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea (PubChem CID 146346912) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea.

Molecular Properties

Compound Name1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea
PubChem CID146346912
Molecular FormulaC20H25ClN6O2
Molecular Weight416.91 g/mol
Exact Mass416.17
IUPAC Name1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea
SMILESO=C(Nc1cncc(-c2ccc(N3CCOCC3)c(Cl)c2)n1)NC1CCCNC1
InChIInChI=1S/C20H25ClN6O2/c21-16-10-14(3-4-18(16)27-6-8-29-9-7-27)17-12-23-13-19(25-17)26-20(28)24-15-2-1-5-22-11-15/h3-4,10,12-13,15,22H,1-2,5-9,11H2,(H2,24,25,26,28)
InChIKeyFFTJLQMBRGBKBB-UHFFFAOYSA-N
XLogP2.51
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea?
The IUPAC name of 1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea (CID 146346912) is 1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea.
What is the SMILES notation for 1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea?
The canonical SMILES for 1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea is O=C(Nc1cncc(-c2ccc(N3CCOCC3)c(Cl)c2)n1)NC1CCCNC1.
What is the InChIKey of 1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea?
The InChIKey is FFTJLQMBRGBKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O2/c21-16-10-14(3-4-18(16)27-6-8-29-9-7-27)17-12-23-13-19(25-17)26-20(28)24-15-2-1-5-22-11-15/h3-4,10,12-13,15,22H,1-2,5-9,11H2,(H2,24,25,26,28).
What are the key properties of 1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea?
1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea has a molecular weight of 416.91 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-chloro-4-morpholin-4-ylphenyl)pyrazin-2-yl]-3-piperidin-3-ylurea is sourced from PubChem (CID 146346912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).