N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide

C29H33N3O — CID 90892127

IUPACN-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
SMILESO=C(c1ccccc1)N(c1ccc(N2CCN(c3ccccc3)CC2)cc1)C1CCCCC1
InChIInChI=1S/C29H33N3O/c33-29(24-10-4-1-5-11-24)32(27-14-8-3-9-15-27)28-18-16-26(17-19-28)31-22-20-30(21-23-31)25-12-6-2-7-13-25/h1-2,4-7,10-13,16-19,27H,3,8-9,14-15,20-23H2
InChIKeyUMGNRQFEXNDHQY-UHFFFAOYSA-N
MW439.60 g/mol
LogP5.99
Rot. Bonds5

About N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide

N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide (PubChem CID 90892127) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
PubChem CID90892127
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC NameN-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
SMILESO=C(c1ccccc1)N(c1ccc(N2CCN(c3ccccc3)CC2)cc1)C1CCCCC1
InChIInChI=1S/C29H33N3O/c33-29(24-10-4-1-5-11-24)32(27-14-8-3-9-15-27)28-18-16-26(17-19-28)31-22-20-30(21-23-31)25-12-6-2-7-13-25/h1-2,4-7,10-13,16-19,27H,3,8-9,14-15,20-23H2
InChIKeyUMGNRQFEXNDHQY-UHFFFAOYSA-N
XLogP5.99
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.99
H-Bond Donors ≤ 50
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-[2-[benzoyl(cyclohexyl)amino]phenyl]-N-cyclohexylbenzamide
CID 171577199
N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide
CID 175598957
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
CID 91480833
N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91353172
N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide
CID 141431573
N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide
CID 170591666
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
CID 111331488
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
N-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzamide
CID 42858072
N,N-dimethyl-4-[4-(1-phenylpiperidin-4-yl)piperidin-1-yl]benzamide
CID 140931570
[4-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46054282

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide (CID 90892127) is N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide is O=C(c1ccccc1)N(c1ccc(N2CCN(c3ccccc3)CC2)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is UMGNRQFEXNDHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c33-29(24-10-4-1-5-11-24)32(27-14-8-3-9-15-27)28-18-16-26(17-19-28)31-22-20-30(21-23-31)25-12-6-2-7-13-25/h1-2,4-7,10-13,16-19,27H,3,8-9,14-15,20-23H2.
What are the key properties of N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide?
N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 439.60 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 90892127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).