1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea

C18H26FN3O2 — CID 97062909

IUPAC1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea
SMILESCOCCN1CCC[C@H](NC(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)C1
InChIInChI=1S/C18H26FN3O2/c1-24-10-9-22-8-2-3-15(12-22)20-18(23)21-17-11-16(17)13-4-6-14(19)7-5-13/h4-7,15-17H,2-3,8-12H2,1H3,(H2,20,21,23)/t15-,16+,17+/m0/s1
InChIKeyAZMBFAZILMIXJJ-GVDBMIGSSA-N
MW335.42 g/mol
LogP2.09
Rot. Bonds6

About 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea

1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea (PubChem CID 97062909) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea
PubChem CID97062909
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea
SMILESCOCCN1CCC[C@H](NC(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)C1
InChIInChI=1S/C18H26FN3O2/c1-24-10-9-22-8-2-3-15(12-22)20-18(23)21-17-11-16(17)13-4-6-14(19)7-5-13/h4-7,15-17H,2-3,8-12H2,1H3,(H2,20,21,23)/t15-,16+,17+/m0/s1
InChIKeyAZMBFAZILMIXJJ-GVDBMIGSSA-N
XLogP2.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea with MolForge

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Related Compounds

6-fluoro-N-[1-(2-methoxyethyl)piperidin-3-yl]quinoline-3-carboxamide
CID 75391136
1-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-3-(2-pyrrol-1-ylethyl)urea
CID 97222464
N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 129359727
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-4-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]urea
CID 133108358
N-[1-(2-methoxyethyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899699
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 125166360
3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrrolidine
CID 71041197
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea
CID 99843111
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)piperidin-3-yl]urea
CID 71989949
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea
CID 99840336

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea?
The IUPAC name of 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea (CID 97062909) is 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea?
The canonical SMILES for 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea is COCCN1CCC[C@H](NC(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea?
The InChIKey is AZMBFAZILMIXJJ-GVDBMIGSSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-24-10-9-22-8-2-3-15(12-22)20-18(23)21-17-11-16(17)13-4-6-14(19)7-5-13/h4-7,15-17H,2-3,8-12H2,1H3,(H2,20,21,23)/t15-,16+,17+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea?
1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea has a molecular weight of 335.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea is sourced from PubChem (CID 97062909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).