[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea

C14H20FN3O2 — CID 118272184

IUPAC[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea
SMILESCOc1cccc(F)c1CN1CCC[C@@H](NC(N)=O)C1
InChIInChI=1S/C14H20FN3O2/c1-20-13-6-2-5-12(15)11(13)9-18-7-3-4-10(8-18)17-14(16)19/h2,5-6,10H,3-4,7-9H2,1H3,(H3,16,17,19)/t10-/m1/s1
InChIKeyDRSIDINIRKFATM-SNVBAGLBSA-N
MW281.33 g/mol
LogP1.47
Rot. Bonds4

About [(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea

[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea (PubChem CID 118272184) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is [(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea
PubChem CID118272184
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea
SMILESCOc1cccc(F)c1CN1CCC[C@@H](NC(N)=O)C1
InChIInChI=1S/C14H20FN3O2/c1-20-13-6-2-5-12(15)11(13)9-18-7-3-4-10(8-18)17-14(16)19/h2,5-6,10H,3-4,7-9H2,1H3,(H3,16,17,19)/t10-/m1/s1
InChIKeyDRSIDINIRKFATM-SNVBAGLBSA-N
XLogP1.47
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
CID 144598997
1-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 86817506
2-amino-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883983
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-imidazol-1-ylpropanamide
CID 56787135
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
3-(4-cyanophenyl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970736
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-methylimidazole-4-carboxamide
CID 122138262
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920255
methyl 1-[(2,6-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 113345340
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide
CID 119884012
(2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119883979

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea?
The IUPAC name of [(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea (CID 118272184) is [(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea.
What is the SMILES notation for [(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea?
The canonical SMILES for [(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea is COc1cccc(F)c1CN1CCC[C@@H](NC(N)=O)C1.
What is the InChIKey of [(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea?
The InChIKey is DRSIDINIRKFATM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-20-13-6-2-5-12(15)11(13)9-18-7-3-4-10(8-18)17-14(16)19/h2,5-6,10H,3-4,7-9H2,1H3,(H3,16,17,19)/t10-/m1/s1.
What are the key properties of [(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea?
[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea has a molecular weight of 281.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea is sourced from PubChem (CID 118272184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).