1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea

C21H31FN4O2 — CID 119734445

IUPAC1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea
SMILESCC(CC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)C1CCCNC1
InChIInChI=1S/C21H31FN4O2/c1-15(16-3-2-10-23-14-16)13-20(27)26-11-8-19(9-12-26)25-21(28)24-18-6-4-17(22)5-7-18/h4-7,15-16,19,23H,2-3,8-14H2,1H3,(H2,24,25,28)
InChIKeyCFTJQPMFWCUFMX-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.96
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea

1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea (PubChem CID 119734445) has the molecular formula C21H31FN4O2 and a molecular weight of 390.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea
PubChem CID119734445
Molecular FormulaC21H31FN4O2
Molecular Weight390.50 g/mol
Exact Mass390.24
IUPAC Name1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea
SMILESCC(CC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)C1CCCNC1
InChIInChI=1S/C21H31FN4O2/c1-15(16-3-2-10-23-14-16)13-20(27)26-11-8-19(9-12-26)25-21(28)24-18-6-4-17(22)5-7-18/h4-7,15-16,19,23H,2-3,8-14H2,1H3,(H2,24,25,28)
InChIKeyCFTJQPMFWCUFMX-UHFFFAOYSA-N
XLogP2.96
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]urea;hydrochloride
CID 119734456
N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide
CID 119833319
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3-piperidin-3-ylbutanamide
CID 119735236
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887880
2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 119771793
1-[4-(3-methylanilino)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119892708
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119749370
1-(4-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119671894
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea (CID 119734445) is 1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea is CC(CC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1)C1CCCNC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea?
The InChIKey is CFTJQPMFWCUFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O2/c1-15(16-3-2-10-23-14-16)13-20(27)26-11-8-19(9-12-26)25-21(28)24-18-6-4-17(22)5-7-18/h4-7,15-16,19,23H,2-3,8-14H2,1H3,(H2,24,25,28).
What are the key properties of 1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea?
1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea has a molecular weight of 390.50 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 119734445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).