1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea

C26H26FN3O2 — CID 10224695

IUPAC1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea
SMILESO=C(NCC1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C26H26FN3O2/c27-20-13-15-21(16-14-20)29-26(32)28-18-22-10-6-7-17-30(22)25(31)24-12-5-4-11-23(24)19-8-2-1-3-9-19/h1-5,8-9,11-16,22H,6-7,10,17-18H2,(H2,28,29,32)
InChIKeyXHKFMUVLJDJMMY-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.31
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea

1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea (PubChem CID 10224695) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea
PubChem CID10224695
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea
SMILESO=C(NCC1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C26H26FN3O2/c27-20-13-15-21(16-14-20)29-26(32)28-18-22-10-6-7-17-30(22)25(31)24-12-5-4-11-23(24)19-8-2-1-3-9-19/h1-5,8-9,11-16,22H,6-7,10,17-18H2,(H2,28,29,32)
InChIKeyXHKFMUVLJDJMMY-UHFFFAOYSA-N
XLogP5.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 10136736
tert-butyl 2-[[(4-fluorophenyl)carbamoylamino]methyl]piperidine-1-carboxylate
CID 23450132
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
[2-(2-phenoxyethyl)azepan-1-yl]-(2-phenylphenyl)methanone
CID 10179058
1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-(4-fluorophenyl)urea
CID 90619148
[2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 10135575
1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride
CID 119728830
1-[[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-2-yl]methyl]-3-phenylurea
CID 86881246
1-[[1-[4-(methylamino)butanoyl]piperidin-2-yl]methyl]-3-phenylurea
CID 119728803
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
1-[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 47029987
1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea (CID 10224695) is 1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea is O=C(NCC1CCCCN1C(=O)c1ccccc1-c1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea?
The InChIKey is XHKFMUVLJDJMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c27-20-13-15-21(16-14-20)29-26(32)28-18-22-10-6-7-17-30(22)25(31)24-12-5-4-11-23(24)19-8-2-1-3-9-19/h1-5,8-9,11-16,22H,6-7,10,17-18H2,(H2,28,29,32).
What are the key properties of 1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea?
1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea has a molecular weight of 431.51 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea is sourced from PubChem (CID 10224695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).