1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea

C18H28N4O2 — CID 51085356

IUPAC1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea
SMILESCCN(CC1CCOC1)C(=O)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C18H28N4O2/c1-2-21(13-15-8-11-24-14-15)18(23)20-16-6-7-17(19-12-16)22-9-4-3-5-10-22/h6-7,12,15H,2-5,8-11,13-14H2,1H3,(H,20,23)
InChIKeyRPFBRUWVKGOXME-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.96
Rot. Bonds5

About 1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea

1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea (PubChem CID 51085356) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea
PubChem CID51085356
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea
SMILESCCN(CC1CCOC1)C(=O)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C18H28N4O2/c1-2-21(13-15-8-11-24-14-15)18(23)20-16-6-7-17(19-12-16)22-9-4-3-5-10-22/h6-7,12,15H,2-5,8-11,13-14H2,1H3,(H,20,23)
InChIKeyRPFBRUWVKGOXME-UHFFFAOYSA-N
XLogP2.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea (CID 51085356) is 1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea is CCN(CC1CCOC1)C(=O)Nc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The InChIKey is RPFBRUWVKGOXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-21(13-15-8-11-24-14-15)18(23)20-16-6-7-17(19-12-16)22-9-4-3-5-10-22/h6-7,12,15H,2-5,8-11,13-14H2,1H3,(H,20,23).
What are the key properties of 1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea?
1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea has a molecular weight of 332.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(oxolan-3-ylmethyl)-3-(6-piperidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 51085356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).