1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea

C14H23N5O2 — CID 71786609

IUPAC1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
SMILESCOCCNC(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H23N5O2/c1-21-9-6-17-14(20)18-10-12-2-7-19(8-3-12)13-11-15-4-5-16-13/h4-5,11-12H,2-3,6-10H2,1H3,(H2,17,18,20)
InChIKeySVOFHMHCYRFMOM-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.64
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea

1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea (PubChem CID 71786609) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
PubChem CID71786609
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
SMILESCOCCNC(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H23N5O2/c1-21-9-6-17-14(20)18-10-12-2-7-19(8-3-12)13-11-15-4-5-16-13/h4-5,11-12H,2-3,6-10H2,1H3,(H2,17,18,20)
InChIKeySVOFHMHCYRFMOM-UHFFFAOYSA-N
XLogP0.64
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea (CID 71786609) is 1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea is COCCNC(=O)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea?
The InChIKey is SVOFHMHCYRFMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-21-9-6-17-14(20)18-10-12-2-7-19(8-3-12)13-11-15-4-5-16-13/h4-5,11-12H,2-3,6-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea?
1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea has a molecular weight of 293.37 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 71786609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).