1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

C19H22F2N4O2 — CID 47049667

IUPAC1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccc(OC(F)F)cc1)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H22F2N4O2/c20-18(21)27-17-3-1-15(2-4-17)23-19(26)24-16-7-11-25(12-8-16)13-14-5-9-22-10-6-14/h1-6,9-10,16,18H,7-8,11-13H2,(H2,23,24,26)
InChIKeyATGUEKVKAFACPK-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.47
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea (PubChem CID 47049667) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
PubChem CID47049667
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccc(OC(F)F)cc1)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H22F2N4O2/c20-18(21)27-17-3-1-15(2-4-17)23-19(26)24-16-7-11-25(12-8-16)13-14-5-9-22-10-6-14/h1-6,9-10,16,18H,7-8,11-13H2,(H2,23,24,26)
InChIKeyATGUEKVKAFACPK-UHFFFAOYSA-N
XLogP3.47
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90733645
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47050040
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 47049556
1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049579
1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
CID 95336201
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 55769009
N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide
CID 75472607
4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide
CID 39913342
1-(4-hydroxyphenyl)-3-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038572

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea (CID 47049667) is 1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea is O=C(Nc1ccc(OC(F)F)cc1)NC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The InChIKey is ATGUEKVKAFACPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c20-18(21)27-17-3-1-15(2-4-17)23-19(26)24-16-7-11-25(12-8-16)13-14-5-9-22-10-6-14/h1-6,9-10,16,18H,7-8,11-13H2,(H2,23,24,26).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea has a molecular weight of 376.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 47049667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).