1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea

C14H25F2N3O — CID 56826843

IUPAC1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
SMILESCC1CCCC1NC(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C14H25F2N3O/c1-10-3-2-4-12(10)18-14(20)17-11-5-7-19(8-6-11)9-13(15)16/h10-13H,2-9H2,1H3,(H2,17,18,20)
InChIKeyKUTVYSQCNKSYDE-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.20
Rot. Bonds4

About 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea (PubChem CID 56826843) has the molecular formula C14H25F2N3O and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
PubChem CID56826843
Molecular FormulaC14H25F2N3O
Molecular Weight289.37 g/mol
Exact Mass289.20
IUPAC Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
SMILESCC1CCCC1NC(=O)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C14H25F2N3O/c1-10-3-2-4-12(10)18-14(20)17-11-5-7-19(8-6-11)9-13(15)16/h10-13H,2-9H2,1H3,(H2,17,18,20)
InChIKeyKUTVYSQCNKSYDE-UHFFFAOYSA-N
XLogP2.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea?
The IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea (CID 56826843) is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea is CC1CCCC1NC(=O)NC1CCN(CC(F)F)CC1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea?
The InChIKey is KUTVYSQCNKSYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N3O/c1-10-3-2-4-12(10)18-14(20)17-11-5-7-19(8-6-11)9-13(15)16/h10-13H,2-9H2,1H3,(H2,17,18,20).
What are the key properties of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea?
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea has a molecular weight of 289.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea is sourced from PubChem (CID 56826843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).