1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea

C18H28FN3O — CID 86999693

IUPAC1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCN(Cc1cccc(F)c1)C(=O)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C18H28FN3O/c1-18(2,22-10-5-4-6-11-22)14-20-17(23)21(3)13-15-8-7-9-16(19)12-15/h7-9,12H,4-6,10-11,13-14H2,1-3H3,(H,20,23)
InChIKeyNGLQLQFRVIUZMI-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.23
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea

1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea (PubChem CID 86999693) has the molecular formula C18H28FN3O and a molecular weight of 321.44 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea
PubChem CID86999693
Molecular FormulaC18H28FN3O
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC Name1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCN(Cc1cccc(F)c1)C(=O)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C18H28FN3O/c1-18(2,22-10-5-4-6-11-22)14-20-17(23)21(3)13-15-8-7-9-16(19)12-15/h7-9,12H,4-6,10-11,13-14H2,1-3H3,(H,20,23)
InChIKeyNGLQLQFRVIUZMI-UHFFFAOYSA-N
XLogP3.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111285361
3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78891504
2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 86975849
1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 78892593
1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea
CID 86916303
1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892840
1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61200560
tert-butyl (2R)-2-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 97167079
N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27827308
2-(3-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 51164393
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea (CID 86999693) is 1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea is CN(Cc1cccc(F)c1)C(=O)NCC(C)(C)N1CCCCC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The InChIKey is NGLQLQFRVIUZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O/c1-18(2,22-10-5-4-6-11-22)14-20-17(23)21(3)13-15-8-7-9-16(19)12-15/h7-9,12H,4-6,10-11,13-14H2,1-3H3,(H,20,23).
What are the key properties of 1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea has a molecular weight of 321.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 86999693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).