[3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea

C19H20FN3O3 — CID 119133483

IUPAC[3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea
SMILESNC(=O)Nc1cccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H20FN3O3/c20-14-4-6-16(7-5-14)26-17-8-10-23(11-9-17)18(24)13-2-1-3-15(12-13)22-19(21)25/h1-7,12,17H,8-11H2,(H3,21,22,25)
InChIKeyKVFZYYPFQASYNQ-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.00
Rot. Bonds4

About [3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea

[3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea (PubChem CID 119133483) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is [3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name[3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea
PubChem CID119133483
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name[3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea
SMILESNC(=O)Nc1cccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H20FN3O3/c20-14-4-6-16(7-5-14)26-17-8-10-23(11-9-17)18(24)13-2-1-3-15(12-13)22-19(21)25/h1-7,12,17H,8-11H2,(H3,21,22,25)
InChIKeyKVFZYYPFQASYNQ-UHFFFAOYSA-N
XLogP3.00
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea
CID 119133486
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
[3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]urea
CID 9225541
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119945105
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951
2-(4-fluoroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813298
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 84561758
1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119768112
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea?
The IUPAC name of [3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea (CID 119133483) is [3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea.
What is the SMILES notation for [3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea?
The canonical SMILES for [3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea is NC(=O)Nc1cccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1.
What is the InChIKey of [3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea?
The InChIKey is KVFZYYPFQASYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-14-4-6-16(7-5-14)26-17-8-10-23(11-9-17)18(24)13-2-1-3-15(12-13)22-19(21)25/h1-7,12,17H,8-11H2,(H3,21,22,25).
What are the key properties of [3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea?
[3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea has a molecular weight of 357.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 119133483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).