3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea

C17H31N3O2 — CID 71836757

IUPAC3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea
SMILESCN1CCC(N(CC2CCOC2)C(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-19-9-6-16(7-10-19)20(12-14-8-11-22-13-14)17(21)18-15-4-2-3-5-15/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyMOEDVEPEZSIOGB-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.07
Rot. Bonds4

About 3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea

3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea (PubChem CID 71836757) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea
PubChem CID71836757
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea
SMILESCN1CCC(N(CC2CCOC2)C(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-19-9-6-16(7-10-19)20(12-14-8-11-22-13-14)17(21)18-15-4-2-3-5-15/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyMOEDVEPEZSIOGB-UHFFFAOYSA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea (CID 71836757) is 3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea is CN1CCC(N(CC2CCOC2)C(=O)NC2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea?
The InChIKey is MOEDVEPEZSIOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-19-9-6-16(7-10-19)20(12-14-8-11-22-13-14)17(21)18-15-4-2-3-5-15/h14-16H,2-13H2,1H3,(H,18,21).
What are the key properties of 3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea?
3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea has a molecular weight of 309.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(1-methylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 71836757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).