1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

C15H24N4O2 — CID 75461319

IUPAC1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESCC(O)CNC(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-12(20)10-17-15(21)18-13-5-8-19(9-6-13)11-14-4-2-3-7-16-14/h2-4,7,12-13,20H,5-6,8-11H2,1H3,(H2,17,18,21)
InChIKeyTZSIIWNNSNEREF-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.73
Rot. Bonds5

About 1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (PubChem CID 75461319) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
PubChem CID75461319
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESCC(O)CNC(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-12(20)10-17-15(21)18-13-5-8-19(9-6-13)11-14-4-2-3-7-16-14/h2-4,7,12-13,20H,5-6,8-11H2,1H3,(H2,17,18,21)
InChIKeyTZSIIWNNSNEREF-UHFFFAOYSA-N
XLogP0.73
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (CID 75461319) is 1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is CC(O)CNC(=O)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The InChIKey is TZSIIWNNSNEREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(20)10-17-15(21)18-13-5-8-19(9-6-13)11-14-4-2-3-7-16-14/h2-4,7,12-13,20H,5-6,8-11H2,1H3,(H2,17,18,21).
What are the key properties of 1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea has a molecular weight of 292.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 75461319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).