1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea

C16H21FN4O2 — CID 66661134

IUPAC1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)N2CCNCC2)cc1F)NC1CCC1
InChIInChI=1S/C16H21FN4O2/c17-13-10-11(15(22)21-8-6-18-7-9-21)4-5-14(13)20-16(23)19-12-2-1-3-12/h4-5,10,12,18H,1-3,6-9H2,(H2,19,20,23)
InChIKeyIVRYNLMLOVJIKN-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.55
Rot. Bonds3

About 1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea

1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea (PubChem CID 66661134) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea
PubChem CID66661134
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)N2CCNCC2)cc1F)NC1CCC1
InChIInChI=1S/C16H21FN4O2/c17-13-10-11(15(22)21-8-6-18-7-9-21)4-5-14(13)20-16(23)19-12-2-1-3-12/h4-5,10,12,18H,1-3,6-9H2,(H2,19,20,23)
InChIKeyIVRYNLMLOVJIKN-UHFFFAOYSA-N
XLogP1.55
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-benzhydrylpiperazin-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3-cyclopentylurea
CID 11376490
1-[2-(4-benzhydrylidenepiperidin-1-yl)-5-(piperazine-1-carbonyl)phenyl]-3-cyclohexylurea
CID 11342211
2-[[4-[4-(cyclobutylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]-N-propan-2-ylidenepyridine-4-carboxamide
CID 89091561
1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea
CID 113268765
4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid
CID 61402803
1-[2-fluoro-4-[4-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]piperazine-1-carbonyl]phenyl]-3-(thian-4-yl)urea
CID 87253463
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea
CID 1379880
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
3-fluoro-4-[(1-methylpyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 63189763
3-fluoro-4-(thiolan-3-ylcarbamoylamino)benzoic acid
CID 103064167

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea (CID 66661134) is 1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea is O=C(Nc1ccc(C(=O)N2CCNCC2)cc1F)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea?
The InChIKey is IVRYNLMLOVJIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c17-13-10-11(15(22)21-8-6-18-7-9-21)4-5-14(13)20-16(23)19-12-2-1-3-12/h4-5,10,12,18H,1-3,6-9H2,(H2,19,20,23).
What are the key properties of 1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea?
1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea has a molecular weight of 320.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 66661134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).