1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea

C18H21FN4O2 — CID 142676191

IUPAC1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(OC3CCCNC3)ccc2F)cn1
InChIInChI=1S/C18H21FN4O2/c1-12-4-5-13(10-21-12)22-18(24)23-17-9-14(6-7-16(17)19)25-15-3-2-8-20-11-15/h4-7,9-10,15,20H,2-3,8,11H2,1H3,(H2,22,23,24)
InChIKeyGFQRCMJPCDAWAZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.30
Rot. Bonds4

About 1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea

1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea (PubChem CID 142676191) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea
PubChem CID142676191
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(OC3CCCNC3)ccc2F)cn1
InChIInChI=1S/C18H21FN4O2/c1-12-4-5-13(10-21-12)22-18(24)23-17-9-14(6-7-16(17)19)25-15-3-2-8-20-11-15/h4-7,9-10,15,20H,2-3,8,11H2,1H3,(H2,22,23,24)
InChIKeyGFQRCMJPCDAWAZ-UHFFFAOYSA-N
XLogP3.30
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-piperidin-3-yloxypyridine
CID 18712955
[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl-methylamino] (3S)-pyrrolidine-3-carboxylate
CID 87785503
1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 10000211
1-[5-[[(3S,5R)-3,5-dimethylmorpholin-4-yl]methyl]-2-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676872
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
2-methyl-5-pyrrolidin-3-yloxypyridine;dihydrochloride
CID 86775669
1-[3-(1-ethylsulfonylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66895195
1-[3-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 69328073
N-[(3S)-3-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 68872842
(3R)-3-(3,4-dimethylphenoxy)piperidine
CID 26191417
1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108886244
N-[[(3R)-3-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-3-yl]methoxy]-N-methylformamide
CID 87608841

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea (CID 142676191) is 1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea is Cc1ccc(NC(=O)Nc2cc(OC3CCCNC3)ccc2F)cn1.
What is the InChIKey of 1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is GFQRCMJPCDAWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-12-4-5-13(10-21-12)22-18(24)23-17-9-14(6-7-16(17)19)25-15-3-2-8-20-11-15/h4-7,9-10,15,20H,2-3,8,11H2,1H3,(H2,22,23,24).
What are the key properties of 1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea?
1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 344.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-piperidin-3-yloxyphenyl)-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 142676191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).