[1-(4-fluorophenyl)piperidin-4-yl]urea

C12H16FN3O — CID 68772038

IUPAC[1-(4-fluorophenyl)piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FN3O/c13-9-1-3-11(4-2-9)16-7-5-10(6-8-16)15-12(14)17/h1-4,10H,5-8H2,(H3,14,15,17)
InChIKeyBXKMRIKYTNKQON-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.46
Rot. Bonds2

About [1-(4-fluorophenyl)piperidin-4-yl]urea

[1-(4-fluorophenyl)piperidin-4-yl]urea (PubChem CID 68772038) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is [1-(4-fluorophenyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-(4-fluorophenyl)piperidin-4-yl]urea
PubChem CID68772038
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name[1-(4-fluorophenyl)piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FN3O/c13-9-1-3-11(4-2-9)16-7-5-10(6-8-16)15-12(14)17/h1-4,10H,5-8H2,(H3,14,15,17)
InChIKeyBXKMRIKYTNKQON-UHFFFAOYSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
(2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide
CID 162628209
2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide
CID 91255983
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 118762258
N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide
CID 118767116
N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 118786399
(2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide
CID 125166950
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide
CID 47053580
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-cyclohexylpropanamide
CID 111075503
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide
CID 124846478

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)piperidin-4-yl]urea?
The IUPAC name of [1-(4-fluorophenyl)piperidin-4-yl]urea (CID 68772038) is [1-(4-fluorophenyl)piperidin-4-yl]urea.
What is the SMILES notation for [1-(4-fluorophenyl)piperidin-4-yl]urea?
The canonical SMILES for [1-(4-fluorophenyl)piperidin-4-yl]urea is NC(=O)NC1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)piperidin-4-yl]urea?
The InChIKey is BXKMRIKYTNKQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-9-1-3-11(4-2-9)16-7-5-10(6-8-16)15-12(14)17/h1-4,10H,5-8H2,(H3,14,15,17).
What are the key properties of [1-(4-fluorophenyl)piperidin-4-yl]urea?
[1-(4-fluorophenyl)piperidin-4-yl]urea has a molecular weight of 237.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)piperidin-4-yl]urea is sourced from PubChem (CID 68772038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).