1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea

C19H27FN4O2 — CID 648467

IUPAC1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea
SMILESCN1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1
InChIInChI=1S/C19H27FN4O2/c1-23-10-12-24(13-11-23)17(25)19(8-3-2-4-9-19)22-18(26)21-16-7-5-6-15(20)14-16/h5-7,14H,2-4,8-13H2,1H3,(H2,21,22,26)
InChIKeyITDYIZHUKNXDFG-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.42
Rot. Bonds3

About 1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea

1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea (PubChem CID 648467) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea
PubChem CID648467
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC Name1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea
SMILESCN1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1
InChIInChI=1S/C19H27FN4O2/c1-23-10-12-24(13-11-23)17(25)19(8-3-2-4-9-19)22-18(26)21-16-7-5-6-15(20)14-16/h5-7,14H,2-4,8-13H2,1H3,(H2,21,22,26)
InChIKeyITDYIZHUKNXDFG-UHFFFAOYSA-N
XLogP2.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(1r,2r)-N-(1-Cyanocyclopropyl)-2-{[4-(4-Fluorophenyl)piperazin-1-Yl]carbonyl}cyclohexanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea (CID 648467) is 1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea is CN1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea?
The InChIKey is ITDYIZHUKNXDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2/c1-23-10-12-24(13-11-23)17(25)19(8-3-2-4-9-19)22-18(26)21-16-7-5-6-15(20)14-16/h5-7,14H,2-4,8-13H2,1H3,(H2,21,22,26).
What are the key properties of 1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea?
1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea has a molecular weight of 362.45 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[1-(4-methylpiperazine-1-carbonyl)cyclohexyl]urea is sourced from PubChem (CID 648467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).