N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide

C23H28FN3O — CID 648152

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1
InChIInChI=1S/C23H28FN3O/c24-19-10-12-20(13-11-19)26-14-16-27(17-15-26)22-9-5-4-8-21(22)25-23(28)18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-17H2,(H,25,28)
InChIKeySYOVHAWDOLJOAN-UHFFFAOYSA-N
MW381.49 g/mol
LogP4.67
Rot. Bonds4

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide (PubChem CID 648152) has the molecular formula C23H28FN3O and a molecular weight of 381.49 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
PubChem CID648152
Molecular FormulaC23H28FN3O
Molecular Weight381.49 g/mol
Exact Mass381.22
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1
InChIInChI=1S/C23H28FN3O/c24-19-10-12-20(13-11-19)26-14-16-27(17-15-26)22-9-5-4-8-21(22)25-23(28)18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-17H2,(H,25,28)
InChIKeySYOVHAWDOLJOAN-UHFFFAOYSA-N
XLogP4.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 26520187
1-N,3-N-bis(2-pyrrolidin-1-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 60596479
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24535038
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 113092391
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 23857873
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 110361783
N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 43708109
1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 39453796
(Z)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide
CID 20833523
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
CID 20925892
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide (CID 648152) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide is O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is SYOVHAWDOLJOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c24-19-10-12-20(13-11-19)26-14-16-27(17-15-26)22-9-5-4-8-21(22)25-23(28)18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-17H2,(H,25,28).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 381.49 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 648152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).