1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea

C18H24FN3O2 — CID 99839751

IUPAC1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(C[C@H]2CCC=CO2)CC1
InChIInChI=1S/C18H24FN3O2/c19-14-4-6-15(7-5-14)20-18(23)21-16-8-10-22(11-9-16)13-17-3-1-2-12-24-17/h2,4-7,12,16-17H,1,3,8-11,13H2,(H2,20,21,23)/t17-/m1/s1
InChIKeyOGTSZLGZOAOYDN-QGZVFWFLSA-N
MW333.41 g/mol
LogP3.10
Rot. Bonds4

About 1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea

1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea (PubChem CID 99839751) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
PubChem CID99839751
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(C[C@H]2CCC=CO2)CC1
InChIInChI=1S/C18H24FN3O2/c19-14-4-6-15(7-5-14)20-18(23)21-16-8-10-22(11-9-16)13-17-3-1-2-12-24-17/h2,4-7,12,16-17H,1,3,8-11,13H2,(H2,20,21,23)/t17-/m1/s1
InChIKeyOGTSZLGZOAOYDN-QGZVFWFLSA-N
XLogP3.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea with MolForge

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Related Compounds

1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
CID 95336201
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[4-(2,2,2-trifluoroethyl)phenyl]urea
CID 126795861
1-[1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 51119941
1-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 120788435
3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 95296194
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 119295427
1-(4-fluorophenyl)-3-[(3S)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 99838682
N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide
CID 78897317
2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182618

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea (CID 99839751) is 1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)NC1CCN(C[C@H]2CCC=CO2)CC1.
What is the InChIKey of 1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The InChIKey is OGTSZLGZOAOYDN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-14-4-6-15(7-5-14)20-18(23)21-16-8-10-22(11-9-16)13-17-3-1-2-12-24-17/h2,4-7,12,16-17H,1,3,8-11,13H2,(H2,20,21,23)/t17-/m1/s1.
What are the key properties of 1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea has a molecular weight of 333.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 99839751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).