N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide

C17H25N3O — CID 58958425

IUPACN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide
SMILESO=CNc1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H25N3O/c21-14-18-15-6-8-17(9-7-15)20-12-10-19(11-13-20)16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-13H2,(H,18,21)
InChIKeyGYPFDYMKTXCAOW-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.71
Rot. Bonds4

About N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide

N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide (PubChem CID 58958425) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide
PubChem CID58958425
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide
SMILESO=CNc1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H25N3O/c21-14-18-15-6-8-17(9-7-15)20-12-10-19(11-13-20)16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-13H2,(H,18,21)
InChIKeyGYPFDYMKTXCAOW-UHFFFAOYSA-N
XLogP2.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide
CID 169085664
N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]formamide
CID 172863969
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine
CID 112502794
1-cycloheptyl-4-phenylpiperazine
CID 2846720
N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide
CID 168651911
4-(4-cyclohexylpiperazin-1-yl)benzohydrazide
CID 20655195
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 112502775
4-(4-cyclopentylpiperazin-1-yl)-N-(ethylsulfamoyl)aniline
CID 110621030
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 112502757

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide?
The IUPAC name of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide (CID 58958425) is N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide?
The canonical SMILES for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide is O=CNc1ccc(N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide?
The InChIKey is GYPFDYMKTXCAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-14-18-15-6-8-17(9-7-15)20-12-10-19(11-13-20)16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-13H2,(H,18,21).
What are the key properties of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide?
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide has a molecular weight of 287.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide is sourced from PubChem (CID 58958425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).