N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide

C22H32FN3O2 — CID 109145085

IUPACN-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C22H32FN3O2/c1-2-3-12-24-21(27)17-4-6-18(7-5-17)22(28)26-15-13-25(14-16-26)20-10-8-19(23)9-11-20/h8-11,17-18H,2-7,12-16H2,1H3,(H,24,27)
InChIKeyRVFYQOKNCBFLGM-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.20
Rot. Bonds6

About N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide

N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide (PubChem CID 109145085) has the molecular formula C22H32FN3O2 and a molecular weight of 389.52 g/mol. Its IUPAC name is N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
PubChem CID109145085
Molecular FormulaC22H32FN3O2
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC NameN-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C22H32FN3O2/c1-2-3-12-24-21(27)17-4-6-18(7-5-17)22(28)26-15-13-25(14-16-26)20-10-8-19(23)9-11-20/h8-11,17-18H,2-7,12-16H2,1H3,(H,24,27)
InChIKeyRVFYQOKNCBFLGM-UHFFFAOYSA-N
XLogP3.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145063
4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide
CID 109147401
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 112502808
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146241
1-butyl-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylguanidine
CID 111149984
4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
CID 78892291
1-butyl-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylguanidine;hydroiodide
CID 111149983
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
CID 109144318
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The IUPAC name of N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide (CID 109145085) is N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide is CCCCNC(=O)C1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
The InChIKey is RVFYQOKNCBFLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O2/c1-2-3-12-24-21(27)17-4-6-18(7-5-17)22(28)26-15-13-25(14-16-26)20-10-8-19(23)9-11-20/h8-11,17-18H,2-7,12-16H2,1H3,(H,24,27).
What are the key properties of N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide?
N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 109145085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).