1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea

C18H24FN5O — CID 95249817

IUPAC1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea
SMILESCn1ccnc1CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C18H24FN5O/c1-23-9-7-20-17(23)13-24-8-3-4-14(12-24)11-21-18(25)22-16-6-2-5-15(19)10-16/h2,5-7,9-10,14H,3-4,8,11-13H2,1H3,(H2,21,22,25)/t14-/m1/s1
InChIKeyMNNGKIYKUVKAEW-CQSZACIVSA-N
MW345.42 g/mol
LogP2.59
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea

1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea (PubChem CID 95249817) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea
PubChem CID95249817
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea
SMILESCn1ccnc1CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C18H24FN5O/c1-23-9-7-20-17(23)13-24-8-3-4-14(12-24)11-21-18(25)22-16-6-2-5-15(19)10-16/h2,5-7,9-10,14H,3-4,8,11-13H2,1H3,(H2,21,22,25)/t14-/m1/s1
InChIKeyMNNGKIYKUVKAEW-CQSZACIVSA-N
XLogP2.59
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea with MolForge

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Related Compounds

1-[[1-(2-amino-2-methylpropyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120848105
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
1-(3-fluorophenyl)-3-[[1-[2-(2-phenoxyethoxy)ethyl]piperidin-3-yl]methyl]urea
CID 86904453
N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide
CID 95197793
1-(3-fluorophenyl)-3-[[(3S)-1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]piperidin-3-yl]methyl]urea
CID 124859538
1-(3-fluorophenyl)-3-[[(3R)-1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]piperidin-3-yl]methyl]urea
CID 124859539
1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea
CID 71908791
(2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide
CID 95144992
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
CID 119761796
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
1-[[(3S)-1-[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 52871823
6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053596

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea (CID 95249817) is 1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea is Cn1ccnc1CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea?
The InChIKey is MNNGKIYKUVKAEW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-23-9-7-20-17(23)13-24-8-3-4-14(12-24)11-21-18(25)22-16-6-2-5-15(19)10-16/h2,5-7,9-10,14H,3-4,8,11-13H2,1H3,(H2,21,22,25)/t14-/m1/s1.
What are the key properties of 1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea?
1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea has a molecular weight of 345.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea is sourced from PubChem (CID 95249817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).