1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea

C17H26N4O2 — CID 71863025

IUPAC1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCn1cccc(NC(=O)NC2CCN(C3CCCC3)CC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-20-10-4-7-15(16(20)22)19-17(23)18-13-8-11-21(12-9-13)14-5-2-3-6-14/h4,7,10,13-14H,2-3,5-6,8-9,11-12H2,1H3,(H2,18,19,23)
InChIKeyZRJPIOKGDUOLHR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.91
Rot. Bonds3

About 1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea

1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea (PubChem CID 71863025) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
PubChem CID71863025
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCn1cccc(NC(=O)NC2CCN(C3CCCC3)CC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-20-10-4-7-15(16(20)22)19-17(23)18-13-8-11-21(12-9-13)14-5-2-3-6-14/h4,7,10,13-14H,2-3,5-6,8-9,11-12H2,1H3,(H2,18,19,23)
InChIKeyZRJPIOKGDUOLHR-UHFFFAOYSA-N
XLogP1.91
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea (CID 71863025) is 1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea is Cn1cccc(NC(=O)NC2CCN(C3CCCC3)CC2)c1=O.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The InChIKey is ZRJPIOKGDUOLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20-10-4-7-15(16(20)22)19-17(23)18-13-8-11-21(12-9-13)14-5-2-3-6-14/h4,7,10,13-14H,2-3,5-6,8-9,11-12H2,1H3,(H2,18,19,23).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea has a molecular weight of 318.42 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 71863025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).