1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea

C26H26FN3O3 — CID 134799087

IUPAC1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea
SMILESCOc1cccc(-c2ccc(C(=O)N3CCC(NC(=O)Nc4ccccc4F)CC3)cc2)c1
InChIInChI=1S/C26H26FN3O3/c1-33-22-6-4-5-20(17-22)18-9-11-19(12-10-18)25(31)30-15-13-21(14-16-30)28-26(32)29-24-8-3-2-7-23(24)27/h2-12,17,21H,13-16H2,1H3,(H2,28,29,32)
InChIKeyRLXFLDRXCNNPLE-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.93
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea

1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea (PubChem CID 134799087) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea
PubChem CID134799087
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea
SMILESCOc1cccc(-c2ccc(C(=O)N3CCC(NC(=O)Nc4ccccc4F)CC3)cc2)c1
InChIInChI=1S/C26H26FN3O3/c1-33-22-6-4-5-20(17-22)18-9-11-19(12-10-18)25(31)30-15-13-21(14-16-30)28-26(32)29-24-8-3-2-7-23(24)27/h2-12,17,21H,13-16H2,1H3,(H2,28,29,32)
InChIKeyRLXFLDRXCNNPLE-UHFFFAOYSA-N
XLogP4.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
N-(2-fluorophenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 3218434
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134803034
[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616349
methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate
CID 134801658
N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide
CID 134804028
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550355
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
N-cyclopropyl-2-[4-[(2-fluoro-4-methoxyphenyl)carbamoylamino]piperidin-1-yl]acetamide
CID 74235645
methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate
CID 134801650

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea (CID 134799087) is 1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea is COc1cccc(-c2ccc(C(=O)N3CCC(NC(=O)Nc4ccccc4F)CC3)cc2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea?
The InChIKey is RLXFLDRXCNNPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-33-22-6-4-5-20(17-22)18-9-11-19(12-10-18)25(31)30-15-13-21(14-16-30)28-26(32)29-24-8-3-2-7-23(24)27/h2-12,17,21H,13-16H2,1H3,(H2,28,29,32).
What are the key properties of 1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea?
1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea has a molecular weight of 447.51 g/mol, XLogP of 4.93, 5 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-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea is sourced from PubChem (CID 134799087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).