1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea

C21H31FN4O2 — CID 16621551

IUPAC1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea
SMILESO=C(NCCCC(=O)N1CCN(c2ccc(F)cc2)CC1)NC1CCCCC1
InChIInChI=1S/C21H31FN4O2/c22-17-8-10-19(11-9-17)25-13-15-26(16-14-25)20(27)7-4-12-23-21(28)24-18-5-2-1-3-6-18/h8-11,18H,1-7,12-16H2,(H2,23,24,28)
InChIKeyMUFCGZKQCJWBKA-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.89
Rot. Bonds6

About 1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea

1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea (PubChem CID 16621551) has the molecular formula C21H31FN4O2 and a molecular weight of 390.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea
PubChem CID16621551
Molecular FormulaC21H31FN4O2
Molecular Weight390.50 g/mol
Exact Mass390.24
IUPAC Name1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea
SMILESO=C(NCCCC(=O)N1CCN(c2ccc(F)cc2)CC1)NC1CCCCC1
InChIInChI=1S/C21H31FN4O2/c22-17-8-10-19(11-9-17)25-13-15-26(16-14-25)20(27)7-4-12-23-21(28)24-18-5-2-1-3-6-18/h8-11,18H,1-7,12-16H2,(H2,23,24,28)
InChIKeyMUFCGZKQCJWBKA-UHFFFAOYSA-N
XLogP2.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-4-oxobutyl]urea
CID 16614919
1-[4-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-4-oxobutyl]-3-cyclohexylurea
CID 55724164
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
1-cyclohexyl-3-[4-(1,4-diazepan-1-yl)-4-oxobutyl]urea
CID 119415459
1-[4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-4-oxobutyl]-3-cyclohexylurea
CID 55513437
1-[4-(cyclohexylcarbamoylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119354504
1-cyclohexyl-3-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]urea
CID 30345483
1-cyclohexyl-3-[4-oxo-4-[4-(2-phenoxyethyl)piperazin-1-yl]butyl]urea
CID 16621685
1-cycloheptyl-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 71886089
4-(cyclohexylcarbamoylamino)-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]butanamide
CID 86938834
1-cyclohexyl-3-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]urea
CID 33127964
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-(methylamino)butanamide
CID 119858786

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea (CID 16621551) is 1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea is O=C(NCCCC(=O)N1CCN(c2ccc(F)cc2)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea?
The InChIKey is MUFCGZKQCJWBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O2/c22-17-8-10-19(11-9-17)25-13-15-26(16-14-25)20(27)7-4-12-23-21(28)24-18-5-2-1-3-6-18/h8-11,18H,1-7,12-16H2,(H2,23,24,28).
What are the key properties of 1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea?
1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea has a molecular weight of 390.50 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]urea is sourced from PubChem (CID 16621551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).