N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide

C22H31N3O2 — CID 1055992

IUPACN-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1)C1CCC1
InChIInChI=1S/C22H31N3O2/c26-21(17-7-4-8-17)23-19-9-11-20(12-10-19)24-13-15-25(16-14-24)22(27)18-5-2-1-3-6-18/h9-12,17-18H,1-8,13-16H2,(H,23,26)
InChIKeyUJONVSXPMJNKGB-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.65
Rot. Bonds4

About N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide

N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide (PubChem CID 1055992) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
PubChem CID1055992
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1)C1CCC1
InChIInChI=1S/C22H31N3O2/c26-21(17-7-4-8-17)23-19-9-11-20(12-10-19)24-13-15-25(16-14-24)22(27)18-5-2-1-3-6-18/h9-12,17-18H,1-8,13-16H2,(H,23,26)
InChIKeyUJONVSXPMJNKGB-UHFFFAOYSA-N
XLogP3.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 1055952
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 84583872
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide
CID 42663766
2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide
CID 1055999
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclopentanecarboxamide
CID 42678411
1-(3-chlorophenyl)-3-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]urea
CID 1056361
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide (CID 1055992) is N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide is O=C(Nc1ccc(N2CCN(C(=O)C3CCCCC3)CC2)cc1)C1CCC1.
What is the InChIKey of N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is UJONVSXPMJNKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21(17-7-4-8-17)23-19-9-11-20(12-10-19)24-13-15-25(16-14-24)22(27)18-5-2-1-3-6-18/h9-12,17-18H,1-8,13-16H2,(H,23,26).
What are the key properties of N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide?
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 1055992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).