[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea

C20H22FN3O3 — CID 119133486

IUPAC[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea
SMILESNC(=O)NCc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN3O3/c21-16-5-7-17(8-6-16)27-18-9-11-24(12-10-18)19(25)15-3-1-14(2-4-15)13-23-20(22)26/h1-8,18H,9-13H2,(H3,22,23,26)
InChIKeyMHKIMNMLBSAYLH-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.68
Rot. Bonds5

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

[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea (PubChem CID 119133486) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is [4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea.

Molecular Properties

Compound Name[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea
PubChem CID119133486
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea
SMILESNC(=O)NCc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN3O3/c21-16-5-7-17(8-6-16)27-18-9-11-24(12-10-18)19(25)15-3-1-14(2-4-15)13-23-20(22)26/h1-8,18H,9-13H2,(H3,22,23,26)
InChIKeyMHKIMNMLBSAYLH-UHFFFAOYSA-N
XLogP2.68
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 67168820
[3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]urea
CID 119133483
[4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea
CID 96500816
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea
CID 31730129
cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42116086

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea?
The IUPAC name of [4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea (CID 119133486) is [4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea.
What is the SMILES notation for [4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea?
The canonical SMILES for [4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea is NC(=O)NCc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea?
The InChIKey is MHKIMNMLBSAYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-16-5-7-17(8-6-16)27-18-9-11-24(12-10-18)19(25)15-3-1-14(2-4-15)13-23-20(22)26/h1-8,18H,9-13H2,(H3,22,23,26).
What are the key properties of [4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea?
[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea has a molecular weight of 371.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea is sourced from PubChem (CID 119133486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).