1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea

C14H22N4O2 — CID 51081933

IUPAC1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea
SMILESCCN1CCC(NC(=O)Nc2ccc(OC)nc2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-18-8-6-11(7-9-18)16-14(19)17-12-4-5-13(20-2)15-10-12/h4-5,10-11H,3,6-9H2,1-2H3,(H2,16,17,19)
InChIKeyNPXNSANYJZQCHD-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.70
Rot. Bonds4

About 1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea

1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea (PubChem CID 51081933) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea
PubChem CID51081933
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea
SMILESCCN1CCC(NC(=O)Nc2ccc(OC)nc2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-18-8-6-11(7-9-18)16-14(19)17-12-4-5-13(20-2)15-10-12/h4-5,10-11H,3,6-9H2,1-2H3,(H2,16,17,19)
InChIKeyNPXNSANYJZQCHD-UHFFFAOYSA-N
XLogP1.70
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea (CID 51081933) is 1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea is CCN1CCC(NC(=O)Nc2ccc(OC)nc2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea?
The InChIKey is NPXNSANYJZQCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-18-8-6-11(7-9-18)16-14(19)17-12-4-5-13(20-2)15-10-12/h4-5,10-11H,3,6-9H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea?
1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea has a molecular weight of 278.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 51081933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).