N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide

C20H31N3O — CID 112502772

IUPACN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-16(2)20(24)21-17-8-10-19(11-9-17)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h8-11,16,18H,3-7,12-15H2,1-2H3,(H,21,24)
InChIKeyQLOQXNBMSRFOSS-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.74
Rot. Bonds4

About N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide

N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide (PubChem CID 112502772) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
PubChem CID112502772
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-16(2)20(24)21-17-8-10-19(11-9-17)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h8-11,16,18H,3-7,12-15H2,1-2H3,(H,21,24)
InChIKeyQLOQXNBMSRFOSS-UHFFFAOYSA-N
XLogP3.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.74
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

2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
CID 772363
ethyl 2-[4-(4-cyclopentylpiperazin-1-yl)anilino]-2-oxoacetate
CID 112502760
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 112502775
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 112502757
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112502781
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide
CID 58958425
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 110621034
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 1055952
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide (CID 112502772) is N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide?
The InChIKey is QLOQXNBMSRFOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16(2)20(24)21-17-8-10-19(11-9-17)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h8-11,16,18H,3-7,12-15H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide?
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide has a molecular weight of 329.49 g/mol, XLogP of 3.74, 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]-2-methylpropanamide is sourced from PubChem (CID 112502772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).