1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea

C18H21FN4O — CID 91624876

IUPAC1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
SMILESO=C(NCC1CCN(c2cccnc2)CC1)Nc1ccccc1F
InChIInChI=1S/C18H21FN4O/c19-16-5-1-2-6-17(16)22-18(24)21-12-14-7-10-23(11-8-14)15-4-3-9-20-13-15/h1-6,9,13-14H,7-8,10-12H2,(H2,21,22,24)
InChIKeyNURCVBFZIJFTJL-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.26
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea

1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea (PubChem CID 91624876) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
PubChem CID91624876
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
SMILESO=C(NCC1CCN(c2cccnc2)CC1)Nc1ccccc1F
InChIInChI=1S/C18H21FN4O/c19-16-5-1-2-6-17(16)22-18(24)21-12-14-7-10-23(11-8-14)15-4-3-9-20-13-15/h1-6,9,13-14H,7-8,10-12H2,(H2,21,22,24)
InChIKeyNURCVBFZIJFTJL-UHFFFAOYSA-N
XLogP3.26
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624881
1-(2-phenoxyethyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624883
4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 100678446
1-(2-fluorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106125111
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121109162
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107584
(1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 100712572
2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624812
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-fluorophenyl)oxamide
CID 121107742
4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
CID 10600007

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea (CID 91624876) is 1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea is O=C(NCC1CCN(c2cccnc2)CC1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea?
The InChIKey is NURCVBFZIJFTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-16-5-1-2-6-17(16)22-18(24)21-12-14-7-10-23(11-8-14)15-4-3-9-20-13-15/h1-6,9,13-14H,7-8,10-12H2,(H2,21,22,24).
What are the key properties of 1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea?
1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea has a molecular weight of 328.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 91624876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).