N'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide

C28H35ClN4 — CID 143072514

IUPACN'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide
SMILESCCCCC(CC)N1CCN(c2ccc3cc(/C(N)=N/c4ccc(Cl)cc4)ccc3c2)CC1
InChIInChI=1S/C28H35ClN4/c1-3-5-6-26(4-2)32-15-17-33(18-16-32)27-14-9-21-19-23(8-7-22(21)20-27)28(30)31-25-12-10-24(29)11-13-25/h7-14,19-20,26H,3-6,15-18H2,1-2H3,(H2,30,31)
InChIKeyUJXZNCPVZOVHCY-UHFFFAOYSA-N
MW463.07 g/mol
LogP6.62
Rot. Bonds8

About N'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide

N'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide (PubChem CID 143072514) has the molecular formula C28H35ClN4 and a molecular weight of 463.07 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide
PubChem CID143072514
Molecular FormulaC28H35ClN4
Molecular Weight463.07 g/mol
Exact Mass462.26
IUPAC NameN'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide
SMILESCCCCC(CC)N1CCN(c2ccc3cc(/C(N)=N/c4ccc(Cl)cc4)ccc3c2)CC1
InChIInChI=1S/C28H35ClN4/c1-3-5-6-26(4-2)32-15-17-33(18-16-32)27-14-9-21-19-23(8-7-22(21)20-27)28(30)31-25-12-10-24(29)11-13-25/h7-14,19-20,26H,3-6,15-18H2,1-2H3,(H2,30,31)
InChIKeyUJXZNCPVZOVHCY-UHFFFAOYSA-N
XLogP6.62
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.07
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide?
The IUPAC name of N'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide (CID 143072514) is N'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide is CCCCC(CC)N1CCN(c2ccc3cc(/C(N)=N/c4ccc(Cl)cc4)ccc3c2)CC1.
What is the InChIKey of N'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide?
The InChIKey is UJXZNCPVZOVHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN4/c1-3-5-6-26(4-2)32-15-17-33(18-16-32)27-14-9-21-19-23(8-7-22(21)20-27)28(30)31-25-12-10-24(29)11-13-25/h7-14,19-20,26H,3-6,15-18H2,1-2H3,(H2,30,31).
What are the key properties of N'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide?
N'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide has a molecular weight of 463.07 g/mol, XLogP of 6.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-6-(4-heptan-3-ylpiperazin-1-yl)naphthalene-2-carboximidamide is sourced from PubChem (CID 143072514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).