3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea

C19H26F2N4O2 — CID 136527206

IUPAC3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea
SMILESCN1CCC(N(C)C(=O)NC2CCCN(Cc3c(F)cccc3F)C2)C1=O
InChIInChI=1S/C19H26F2N4O2/c1-23-10-8-17(18(23)26)24(2)19(27)22-13-5-4-9-25(11-13)12-14-15(20)6-3-7-16(14)21/h3,6-7,13,17H,4-5,8-12H2,1-2H3,(H,22,27)
InChIKeyANYUCZPZESOUJC-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.80
Rot. Bonds4

About 3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea

3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea (PubChem CID 136527206) has the molecular formula C19H26F2N4O2 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea
PubChem CID136527206
Molecular FormulaC19H26F2N4O2
Molecular Weight380.44 g/mol
Exact Mass380.20
IUPAC Name3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea
SMILESCN1CCC(N(C)C(=O)NC2CCCN(Cc3c(F)cccc3F)C2)C1=O
InChIInChI=1S/C19H26F2N4O2/c1-23-10-8-17(18(23)26)24(2)19(27)22-13-5-4-9-25(11-13)12-14-15(20)6-3-7-16(14)21/h3,6-7,13,17H,4-5,8-12H2,1-2H3,(H,22,27)
InChIKeyANYUCZPZESOUJC-UHFFFAOYSA-N
XLogP1.80
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The IUPAC name of 3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea (CID 136527206) is 3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea is CN1CCC(N(C)C(=O)NC2CCCN(Cc3c(F)cccc3F)C2)C1=O.
What is the InChIKey of 3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The InChIKey is ANYUCZPZESOUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O2/c1-23-10-8-17(18(23)26)24(2)19(27)22-13-5-4-9-25(11-13)12-14-15(20)6-3-7-16(14)21/h3,6-7,13,17H,4-5,8-12H2,1-2H3,(H,22,27).
What are the key properties of 3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea?
3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea has a molecular weight of 380.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 136527206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).