1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea

C19H28FN3O2 — CID 124886303

IUPAC1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea
SMILESCc1cccc(F)c1NC(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1
InChIInChI=1S/C19H28FN3O2/c1-13-5-4-6-15(20)18(13)22-19(25)21-14-9-11-23(12-10-14)16-7-2-3-8-17(16)24/h4-6,14,16-17,24H,2-3,7-12H2,1H3,(H2,21,22,25)/t16-,17-/m0/s1
InChIKeyAKJGDDKGQAIOAG-IRXDYDNUSA-N
MW349.45 g/mol
LogP3.02
Rot. Bonds3

About 1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea

1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea (PubChem CID 124886303) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea
PubChem CID124886303
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea
SMILESCc1cccc(F)c1NC(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1
InChIInChI=1S/C19H28FN3O2/c1-13-5-4-6-15(20)18(13)22-19(25)21-14-9-11-23(12-10-14)16-7-2-3-8-17(16)24/h4-6,14,16-17,24H,2-3,7-12H2,1H3,(H2,21,22,25)/t16-,17-/m0/s1
InChIKeyAKJGDDKGQAIOAG-IRXDYDNUSA-N
XLogP3.02
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea with MolForge

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Related Compounds

1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
CID 86986878
1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea
CID 116510369
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea
CID 113252784
1-(2-tert-butyl-6-methylphenyl)-3-cyclopentylurea
CID 67522114
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61184202
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
CID 134177696
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea?
The IUPAC name of 1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea (CID 124886303) is 1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea is Cc1cccc(F)c1NC(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1.
What is the InChIKey of 1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea?
The InChIKey is AKJGDDKGQAIOAG-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-13-5-4-6-15(20)18(13)22-19(25)21-14-9-11-23(12-10-14)16-7-2-3-8-17(16)24/h4-6,14,16-17,24H,2-3,7-12H2,1H3,(H2,21,22,25)/t16-,17-/m0/s1.
What are the key properties of 1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea?
1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea has a molecular weight of 349.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methylphenyl)-3-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]urea is sourced from PubChem (CID 124886303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).