1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea

C14H20FN3O — CID 63304885

IUPAC1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea
SMILESCC1CCCNC1CNC(=O)Nc1ccccc1F
InChIInChI=1S/C14H20FN3O/c1-10-5-4-8-16-13(10)9-17-14(19)18-12-7-3-2-6-11(12)15/h2-3,6-7,10,13,16H,4-5,8-9H2,1H3,(H2,17,18,19)
InChIKeyNOPPNOPYOHBBIQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.34
Rot. Bonds3

About 1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea

1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea (PubChem CID 63304885) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea
PubChem CID63304885
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea
SMILESCC1CCCNC1CNC(=O)Nc1ccccc1F
InChIInChI=1S/C14H20FN3O/c1-10-5-4-8-16-13(10)9-17-14(19)18-12-7-3-2-6-11(12)15/h2-3,6-7,10,13,16H,4-5,8-9H2,1H3,(H2,17,18,19)
InChIKeyNOPPNOPYOHBBIQ-UHFFFAOYSA-N
XLogP2.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 63304934
1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea
CID 47034705
1-(2-fluorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106125111
N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305307
2-methoxy-N-[(3-methylpiperidin-2-yl)methyl]benzamide
CID 63304743
1-(2-fluorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 60895338
1-(2-methoxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 62539868
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate
CID 79337811
N-(2-methoxyphenyl)-2-(3-methylpiperidin-2-yl)acetamide
CID 107147403
1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 79154184
1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea
CID 62663672

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea (CID 63304885) is 1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea is CC1CCCNC1CNC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea?
The InChIKey is NOPPNOPYOHBBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-10-5-4-8-16-13(10)9-17-14(19)18-12-7-3-2-6-11(12)15/h2-3,6-7,10,13,16H,4-5,8-9H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea?
1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea has a molecular weight of 265.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(3-methylpiperidin-2-yl)methyl]urea is sourced from PubChem (CID 63304885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).