1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea

C19H22F2N4O — CID 72896177

IUPAC1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(Cc3cc(F)cc(F)c3)CC2)cn1
InChIInChI=1S/C19H22F2N4O/c1-13-2-3-18(11-22-13)24-19(26)23-17-4-6-25(7-5-17)12-14-8-15(20)10-16(21)9-14/h2-3,8-11,17H,4-7,12H2,1H3,(H2,23,24,26)
InChIKeyXWGGILONFOJMDE-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.45
Rot. Bonds4

About 1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea

1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 72896177) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID72896177
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(Cc3cc(F)cc(F)c3)CC2)cn1
InChIInChI=1S/C19H22F2N4O/c1-13-2-3-18(11-22-13)24-19(26)23-17-4-6-25(7-5-17)12-14-8-15(20)10-16(21)9-14/h2-3,8-11,17H,4-7,12H2,1H3,(H2,23,24,26)
InChIKeyXWGGILONFOJMDE-UHFFFAOYSA-N
XLogP3.45
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea (CID 72896177) is 1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea is Cc1ccc(NC(=O)NC2CCN(Cc3cc(F)cc(F)c3)CC2)cn1.
What is the InChIKey of 1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is XWGGILONFOJMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c1-13-2-3-18(11-22-13)24-19(26)23-17-4-6-25(7-5-17)12-14-8-15(20)10-16(21)9-14/h2-3,8-11,17H,4-7,12H2,1H3,(H2,23,24,26).
What are the key properties of 1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea?
1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 360.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 72896177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).